Molecule

Hydrocyanic acid

AlkaPlorer ID: AK300756

Synonym: Formonitrile, Hydrogen cyanide, Prussic acid

IUPAC Name: formonitrile

Structure

SMILES: C#N

InChI: InChI=1S/CHN/c1-2/h1H

InChIKey: LELOWRISYMNNSU-UHFFFAOYSA-N

Reference

PubChem CID: 768

CAS: 74-90-8

SuperNatural Ⅲ: SN0203229

NPASS: NPC163076

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Lemna	Araceae	Alismatales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Dennettia	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Manihot esculenta	Manihot	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Prunus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 27.026

TPSA？: 23.79

MolLogP？: 0.13978

Number of H-Donors: 0

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Carbonic anhydrase I	Ki	500.0	nM	10.1016/j.bmc.2016.05.029
Homo sapiens	Carbonic anhydrase I	Ki	500.0	nM	10.1016/j.bmcl.2004.06.073
Homo sapiens	Carbonic anhydrase I	Ki	500.0	nM	10.1016/j.bmcl.2004.07.086
Homo sapiens	Carbonic anhydrase I	Ki	500.0	nM	10.1016/j.bmcl.2004.09.063
Homo sapiens	Carbonic anhydrase I	Ki	500.0	nM	10.1016/j.bmcl.2010.11.124
Homo sapiens	Carbonic anhydrase I	Ki	500.0	nM	10.1016/j.bmcl.2015.10.074
Homo sapiens	Carbonic anhydrase I	Ki	500.0	nM	10.1016/j.bmcl.2016.01.072
Homo sapiens	Carbonic anhydrase II	Ki	20000.0	nM	10.1016/j.bmc.2016.05.029
Homo sapiens	Carbonic anhydrase II	Ki	20000.0	nM	10.1016/j.bmcl.2004.06.073
Homo sapiens	Carbonic anhydrase II	Ki	20000.0	nM	10.1016/j.bmcl.2004.07.086
Homo sapiens	Carbonic anhydrase II	Ki	20000.0	nM	10.1016/j.bmcl.2004.09.063
Homo sapiens	Carbonic anhydrase II	Ki	20000.0	nM	10.1016/j.bmcl.2010.11.124
Homo sapiens	Carbonic anhydrase II	Ki	20000.0	nM	10.1016/j.bmcl.2015.10.074
Homo sapiens	Carbonic anhydrase II	Ki	20000.0	nM	10.1016/j.bmcl.2016.01.072
Homo sapiens	Carbonic anhydrase IV	Ki	770000.0	nM	10.1016/j.bmcl.2004.09.063
Homo sapiens	Carbonic anhydrase IV	Ki	nan	nM	10.1016/j.bmcl.2004.06.073
Homo sapiens	Carbonic anhydrase IX	Ki	4000.0	nM	10.1016/j.bmcl.2004.09.063
Homo sapiens	Carbonic anhydrase V	Ki	0.01	nM	10.1016/j.bmcl.2004.07.086
Homo sapiens	Carbonic anhydrase V	Ki	15000.0	nM	10.1016/j.bmcl.2004.09.063
Homo sapiens	Carbonic anhydrase VI	Ki	70000.0	nM	10.1016/j.bmcl.2010.11.124
Homo sapiens	Carbonic anhydrase VII	Ki	9200000.0	nM	10.1016/j.bmcl.2006.03.078
Methanobacterium thermoautotrophicum	Carbonic anhydrase	Ki	27800000.0	nM	10.1016/j.bmcl.2004.06.073
Methanosarcina thermophila	Carbonic anhydrase	Ki	680000.0	nM	10.1016/j.bmcl.2004.06.073
Musca domestica	Musca domestica	Drug uptake	680.0	ppm	10.1584/jpestics.30.99
Musca domestica	Musca domestica	Drug uptake	nan	None	10.1584/jpestics.30.99
Musca domestica	Musca domestica	LC50	0.02	ug.mL-1	10.1584/jpestics.30.99
Mus musculus	Carbonic anhydrase XIII	Ki	60000.0	nM	10.1016/j.bmcl.2004.07.086
Rhyzopertha dominica	Rhyzopertha dominica	Drug uptake	nan	None	10.1584/jpestics.30.99
Rhyzopertha dominica	Rhyzopertha dominica	LC50	0.16	ug.mL-1	10.1584/jpestics.30.99
Stylophora pistillata	Alpha carbonic anhydrase	Ki	580000.0	nM	10.1016/j.bmcl.2010.11.124
Stylophora pistillata	Carbonic anhydrase	Ki	860000.0	nM	10.1016/j.bmcl.2010.11.124
None	ADMET	Drugexcretion	15.0	%ID	10.1021/jm00223a018
None	No relevant target	Rf	0.08	None	10.1021/jm00223a018
None	Unchecked	Ki	33000.0	nM	10.1016/j.bmc.2016.05.029
None	Unchecked	Ki	33000.0	nM	10.1016/j.bmcl.2016.01.072
None	Unchecked	Ki	760000.0	nM	10.1016/j.bmc.2016.05.029
None	Unchecked	Ki	790000.0	nM	10.1016/j.bmcl.2015.10.074
None	Unchecked	Ki	5700000.0	nM	10.1016/j.bmc.2016.05.029
None	Unchecked	Ki	5700000.0	nM	10.1016/j.bmcl.2016.01.072
None	Unchecked	Ki	8400000.0	nM	10.1016/j.bmc.2016.05.029

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT000027	*C#N>>C#N	MNXR150309
AKRT000029	C()=O.C#N>>C()(O)C#N	MNXR147845
AKRT000508	C=O.C#N>>C(*)(O)C#N	MNXR147296
AKRT000509	C=O.C#N>>[C@H](O)C#N	MNXR176153
AKRT001127	C#N.C/C=C/C=O>>C/C=C/C(O)C#N	None
AKRT001128	C#N.C/C=C/C=O>>C/C=C/[C@@H](O)C#N	None
AKRT001129	C#N.C=C(C)C=O>>C=C(C)[C@@H](O)C#N	None
AKRT001130	C#N.C=C.O=C=O>>NC1(C(=O)O)CC1	MNXR179331
AKRT001131	C#N.C=CC(C)=O>>C=C[C@@](C)(O)C#N	None
AKRT001132	C#N.C=CC=O>>C=CC(O)C#N	None
AKRT001133	C#N.C=CC=O>>C=C[C@@H](O)C#N	None
AKRT001134	C#N.C=CC=O>>C=C[C@H](O)C#N	None
AKRT001135	C#N.CC(=O)CCC(C)C>>CC(C)CC[C@](C)(O)C#N	MNXR194828
AKRT001136	C#N.CC(=O)CCc1ccccc1>>C[C@@](O)(C#N)CCc1ccccc1	None
AKRT001137	C#N.CC(=O)CCl>>C[C@@](O)(C#N)CCl	None
AKRT001138	C#N.CC(=O)Cc1ccccc1>>C[C@@](O)(C#N)Cc1ccccc1	None
AKRT001139	C#N.CC(=O)c1ccccc1>>CC(O)(C#N)c1ccccc1	None
AKRT001140	C#N.CC(=O)c1ccccc1>>C[C@@](O)(C#N)c1ccccc1	None
AKRT001141	C#N.CC(C)=O>>CC(C)(O)C#N	MNXR195359
AKRT001142	C#N.CC(C)C(C(=O)O)c1ccc(Cl)cc1.O=Cc1cccc(Oc2ccccc2)c1>>CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1	MNXR172033
AKRT001143	C#N.CC(C)C=O>>CC(C)C(O)C#N	None
AKRT001144	C#N.CC(C)C=O>>CC(C)[C@@H](O)C#N	MNXR194809
AKRT001145	C#N.CC(C)C=O>>CC(C)[C@H](O)C#N	None
AKRT001146	C#N.CC1(C)C(C(=O)O)C1(C)C.O=Cc1cccc(Oc2ccccc2)c1>>CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C	MNXR172029
AKRT001147	C#N.CC1=C2[N+]3=C(C=C4[N+]5=C(C(C)=C6N7C8C(CC(N)=O)C6(C)CCC(=O)NCC(C)OP(=O)(O)OC6C(CO)OC(C6O)n6c[n+](c9cc(C)c(C)cc96)[Co]753(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)[N+]3=C1C(CCC(N)=O)C(C)(CC(N)=O)C83C)C(CCC(N)=O)C4(C)C)C(CCC(N)=O)C2(C)CC(N)=O>>CC1=C2[N+]3=C(C=C4[N+]5=C(C(C)=C6N7[C@@H]8[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)n6c[n+](c9cc(C)c(C)cc96)[Co-3]753(C#N)[N+]3=C1[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]83C)[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O	MNXR131084
AKRT001148	C#N.CC1=C2[N+]3=C(C=C4[N+]5=C(C(C)=C6N7[C@@H]8[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)n6c[n+](c9cc(C)c(C)cc96)[Co-4]753[N+]3=C1[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]83C)[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O>>CC1=C2[N+]3=C(C=C4[N+]5=C(C(C)=C6N7[C@@H]8[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)n6c[n+](c9cc(C)c(C)cc96)[Co-3]753(C#N)[N+]3=C1[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]83C)[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O	MNXR134341
AKRT001149	C#N.CC=O>>CC(N)C#N	R01410
AKRT001150	C#N.CCC(C)=O>>CCC(C)(O)C#N	MNXR178348
AKRT001151	C#N.CCC(C)=O>>CC[C@@](C)(O)C#N	None
AKRT001152	C#N.CCC(C)=O>>CC[C@](C)(O)C#N	None
AKRT001153	C#N.CCC/C=C/C=O>>CCC/C=C/[C@H](O)C#N	MNXR194826
AKRT001154	C#N.CCC=O>>CCC(O)C#N	None
AKRT001155	C#N.CCC=O>>CC[C@@H](O)C#N	MNXR194808
AKRT001156	C#N.CCC=O>>CC[C@H](O)C#N	None
AKRT001157	C#N.CCCC(C)=O>>CCC[C@@](C)(O)C#N	None
AKRT001158	C#N.CCCC(C)=O>>CCC[C@](C)(O)C#N	None
AKRT001159	C#N.CCCC=O>>CCC[C@@H](O)C#N	None
AKRT001160	C#N.CCCC=O>>CCC[C@H](O)C#N	None
AKRT001161	C#N.CCCCC(=O)CC>>CCCC[C@](O)(C#N)CC	None
AKRT001162	C#N.CCCCC(C)=O>>CCCC[C@@](C)(O)C#N	None
AKRT001163	C#N.CCCCC(C)=O>>CCCC[C@](C)(O)C#N	None
AKRT001164	C#N.CCCCC=O>>CCCC[C@H](O)C#N	None
AKRT001165	C#N.CCCCCC(=O)CC>>CCCCC[C@](O)(C#N)CC	None
AKRT001166	C#N.CCCCCC(C)=O>>CCCCC[C@](C)(O)C#N	None
AKRT001167	C#N.CCCCCC=O>>CCCCCC(O)C#N	None
AKRT001168	C#N.CCCCCCC=O>>CCCCCC[C@H](O)C#N	MNXR194827
AKRT001169	C#N.CCCCCCCC=O>>CCCCCCC[C@H](O)C#N	None
AKRT001170	C#N.CCCCCCCCC=O>>CCCCCCCCC(O)C#N	None
AKRT001171	C#N.CCCCCCCCC=O>>CCCCCCCC[C@H](O)C#N	None
AKRT001172	C#N.CCCCCCCCCC=O>>CCCCCCCCC[C@H](O)C#N	None
AKRT001173	C#N.CCCCCCCCCCCC=O>>CCCCCCCCCCC[C@H](O)C#N	None
AKRT001174	C#N.COC1=CCC(C=O)CC1>>COC1=CCC([C@H](O)C#N)CC1	None
AKRT001175	C#N.COc1ccc(C=O)cc1>>COc1ccc([C@@H](O)C#N)cc1	MNXR194803
AKRT001176	C#N.COc1ccc(C=O)cc1>>COc1ccc([C@H](O)C#N)cc1	None
AKRT001177	C#N.COc1cccc(C=O)c1>>COc1cccc([C@@H](O)C#N)c1	None
AKRT001178	C#N.COc1cccc(C=O)c1>>COc1cccc([C@H](O)C#N)c1	None
AKRT001179	C#N.COc1ccccc1C=O>>COc1ccccc1[C@H](O)C#N	None
AKRT001180	C#N.C[Si](C)(C)OC1=CCC(C=O)CC1>>C[Si](C)(C)OC1=CCC([C@H](O)C#N)CC1	None
AKRT001181	C#N.Cc1ccc(C=O)cc1>>Cc1ccc([C@@H](O)C#N)cc1	None
AKRT001182	C#N.Cc1ccc(C=O)cc1>>Cc1ccc([C@H](O)C#N)cc1	None
AKRT001183	C#N.Cc1cccc(C=O)c1>>Cc1cccc([C@@H](O)C#N)c1	None
AKRT001184	C#N.Cc1cccc(C=O)c1>>Cc1cccc([C@H](O)C#N)c1	None
AKRT001185	C#N.Cc1ccccc1C=O>>Cc1ccccc1[C@H](O)C#N	MNXR194812
AKRT001186	C#N.N[C@@H](CS)C(=O)O>>N#CC[C@H](N)C(=O)O	L-3-CYANOALANINE-SYNTHASE-RXN
AKRT001187	C#N.O=C(O)C(=O)CS>>CC(=O)C(=O)O.N#CS	None
AKRT001188	C#N.O=C/C=C/c1ccc(O)cc1>>N#C[C@@H](O)/C=C/c1ccc(O)cc1	enzymemap_83059
AKRT001189	C#N.O=C/C=C/c1ccccc1>>N#C[C@@H](O)/C=C/c1ccccc1	enzymemap_83041
AKRT001190	C#N.O=C/C=C/c1ccccc1>>N#C[C@H](O)/C=C/c1ccccc1	enzymemap_82214
AKRT001191	C#N.O=C1CCCC(C(F)(F)F)C1>>N#C[C@@]1(O)CCCC(C(F)(F)F)C1	enzymemap_82269
AKRT001192	C#N.O=C1CCCCC1>>N#CC1(O)CCCCC1	enzymemap_82238
AKRT001193	C#N.O=C1CCCOC1>>N#C[C@]1(O)CCCOC1	enzymemap_82924
AKRT001194	C#N.O=C1CCOC1>>N#C[C@]1(O)CCOC1	enzymemap_82936
AKRT001195	C#N.O=C1CCSC1>>N#C[C@@]1(O)CCSC1	enzymemap_82295
AKRT001196	C#N.O=C1CCSC1>>N#C[C@]1(O)CCSC1	enzymemap_82295
AKRT001197	C#N.O=C=O.c1ccc2c(-c3nccs3)c[nH]c2c1>>N#CC(SC[C@H](N)C(=O)O)c1c[nH]c2ccccc12	MNXR185910
AKRT001198	C#N.O=CC(Cc1ccccc1)OCc1ccccc1>>N#CC(O)C(Cc1ccccc1)OCc1ccccc1	enzymemap_82286
AKRT001199	C#N.O=CC1=CC2OCCOC2C=C1>>N#C[C@H](O)C1=CC2OCCOC2C=C1	enzymemap_82310
AKRT001200	C#N.O=CC1CC=CCC1>>N#C[C@@H](O)C1CC=CCC1	enzymemap_83042
AKRT001201	C#N.O=CC1CCC(=O)CC1>>N#C[C@@H](O)C1CCC(=O)CC1	enzymemap_83037
AKRT001202	C#N.O=CC1CCCC1>>N#C[C@H](O)C1CCCC1	enzymemap_82424
AKRT001203	C#N.O=CC1CCCCC1>>N#C[C@@H](O)C1CCCCC1	None
AKRT001204	C#N.O=CC1CCCCO1>>N#CC(O)C1CCCCO1	enzymemap_82302
AKRT001205	C#N.O=CC1CCCO1>>N#CC(O)C1CCCO1	enzymemap_82303
AKRT001206	C#N.O=CC1COC2(CCCCC2)O1>>N#CC(O)C1COC2(CCCCC2)O1	enzymemap_82285
AKRT001207	C#N.O=CC1Cc2ccccc2CO1>>N#CC(O)C1Cc2ccccc2CO1	enzymemap_82291
AKRT001208	C#N.O=CCCC(=O)O>>N#CC(N)CCC(=O)O	R01650
AKRT001209	C#N.O=CCCCCO>>N#C[C@H](O)CCCCO	enzymemap_82298
AKRT001210	C#N.O=CCCCO>>N#CC(O)CCCO	enzymemap_82891
AKRT001211	C#N.O=CCCCO>>N#C[C@H](O)CCCO	enzymemap_82296
AKRT001212	C#N.O=CCCCc1ccccc1>>N#C[C@H](O)CCCc1ccccc1	enzymemap_82297
AKRT001213	C#N.O=CCCOc1ccccc1>>N#C[C@@H](O)CCOc1ccccc1	enzymemap_82931
AKRT001214	C#N.O=CCCc1ccc(O)cc1>>N#C[C@@H](O)CCc1ccc(O)cc1	enzymemap_83070
AKRT001215	C#N.O=CCCc1ccccc1>>N#CC(O)CCc1ccccc1	enzymemap_82440
AKRT001216	C#N.O=CCCc1ccccc1>>N#C[C@@H](O)CCc1ccccc1	enzymemap_82442
AKRT001217	C#N.O=CCCc1ccccc1>>N#C[C@H](O)CCc1ccccc1	enzymemap_82248
AKRT001218	C#N.O=CCOCc1ccccc1>>N#CC(O)COCc1ccccc1	enzymemap_82284
AKRT001219	C#N.O=CCOCc1ccccc1>>N#C[C@@H](O)COCc1ccccc1	enzymemap_82930
AKRT001220	C#N.O=CCc1ccc(O)cc1>>N#C[C@@H](O)Cc1ccc(O)cc1	enzymemap_83061
AKRT001221	C#N.O=CCc1ccc2ccccc2c1>>N#CC(O)Cc1ccc2ccccc2c1	enzymemap_82300
AKRT001222	C#N.O=CCc1ccc2ccccc2c1>>N#C[C@H](O)Cc1ccc2ccccc2c1	enzymemap_82299
AKRT001223	C#N.O=CCc1ccccc1>>N#CC(O)Cc1ccccc1	enzymemap_83093
AKRT001224	C#N.O=CCc1ccccc1>>N#C[C@@H](O)Cc1ccccc1	enzymemap_83047
AKRT001225	C#N.O=CCc1ccccc1>>N#C[C@H](O)Cc1ccccc1	enzymemap_82333
AKRT001226	C#N.O=Cc1c(Cl)cccc1Cl>>N#C[C@H](O)c1c(Cl)cccc1Cl	enzymemap_82380
AKRT001227	C#N.O=Cc1c(F)c(F)cc(F)c1F>>N#C[C@H](O)c1c(F)c(F)cc(F)c1F	enzymemap_82371
AKRT001228	C#N.O=Cc1cc(Cl)cc(Cl)c1>>N#C[C@H](O)c1cc(Cl)cc(Cl)c1	enzymemap_82401
AKRT001229	C#N.O=Cc1cc(Cl)ccc1Cl>>N#C[C@H](O)c1cc(Cl)ccc1Cl	enzymemap_82378
AKRT001230	C#N.O=Cc1cc(F)c(F)c(F)c1F>>N#C[C@H](O)c1cc(F)c(F)c(F)c1F	enzymemap_82369
AKRT001231	C#N.O=Cc1ccc(Br)cc1>>N#C[C@@H](O)c1ccc(Br)cc1	enzymemap_83103
AKRT001232	C#N.O=Cc1ccc(Br)cc1>>N#C[C@H](O)c1ccc(Br)cc1	enzymemap_82247
AKRT001233	C#N.O=Cc1ccc(C(F)(F)F)cc1>>N#C[C@H](O)c1ccc(C(F)(F)F)cc1	enzymemap_82420
AKRT001234	C#N.O=Cc1ccc(Cl)c(Cl)c1>>N#C[C@H](O)c1ccc(Cl)c(Cl)c1	enzymemap_82399
AKRT001235	C#N.O=Cc1ccc(Cl)cc1>>N#C[C@@H](O)c1ccc(Cl)cc1	enzymemap_83104
AKRT001236	C#N.O=Cc1ccc(Cl)cc1>>N#C[C@H](O)c1ccc(Cl)cc1	enzymemap_82233
AKRT001237	C#N.O=Cc1ccc(Cl)cc1Cl>>N#C[C@H](O)c1ccc(Cl)cc1Cl	enzymemap_82375
AKRT001238	C#N.O=Cc1ccc(F)cc1>>N#C[C@@H](O)c1ccc(F)cc1	enzymemap_83105
AKRT001239	C#N.O=Cc1ccc(F)cc1>>N#C[C@H](O)c1ccc(F)cc1	enzymemap_82234
AKRT001240	C#N.O=Cc1ccc(I)cc1>>N#C[C@H](O)c1ccc(I)cc1	enzymemap_82236
AKRT001241	C#N.O=Cc1ccc(O)c(O)c1>>N#C[C@H](O)c1ccc(O)c(O)c1	enzymemap_82304
AKRT001242	C#N.O=Cc1ccc(O)cc1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O>>N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1	MNXR182449
AKRT001243	C#N.O=Cc1ccc(O)cc1>>N#CC(O)c1ccc(O)cc1	MNXR195363
AKRT001244	C#N.O=Cc1ccc(O)cc1>>N#C[C@@H](O)c1ccc(O)cc1	enzymemap_82434
AKRT001245	C#N.O=Cc1ccc(O)cc1>>N#C[C@H](O)c1ccc(O)cc1	enzymemap_82196
AKRT001246	C#N.O=Cc1ccc(OCc2ccccc2)cc1>>N#C[C@H](O)c1ccc(OCc2ccccc2)cc1	enzymemap_82412
AKRT001247	C#N.O=Cc1ccc(Oc2ccccc2)cc1>>N#C[C@@H](O)c1ccc(Oc2ccccc2)cc1	enzymemap_83078
AKRT001248	C#N.O=Cc1ccc(Oc2ccccc2)cc1>>N#C[C@H](O)c1ccc(Oc2ccccc2)cc1	enzymemap_82339
AKRT001249	C#N.O=Cc1ccc([N+](=O)[O-])cc1>>N#C[C@H](O)c1ccc([N+](=O)[O-])cc1	enzymemap_82308
AKRT001250	C#N.O=Cc1ccc2c(c1)OCO2>>N#C[C@@H](O)c1ccc2c(c1)OCO2	enzymemap_83062
AKRT001251	C#N.O=Cc1ccc2c(c1)OCO2>>N#C[C@H](O)c1ccc2c(c1)OCO2	enzymemap_82218
AKRT001252	C#N.O=Cc1ccc2ccccc2c1>>N#C[C@H](O)c1ccc2ccccc2c1	enzymemap_82215
AKRT001253	C#N.O=Cc1ccc2ccccc2n1>>N#C[C@@H](O)c1ccc2ccccc2n1	enzymemap_82393
AKRT001254	C#N.O=Cc1cccc(Br)c1>>N#C[C@@H](O)c1cccc(Br)c1	enzymemap_83100
AKRT001255	C#N.O=Cc1cccc(Br)c1>>N#C[C@H](O)c1cccc(Br)c1	enzymemap_82228
AKRT001256	C#N.O=Cc1cccc(C(F)(F)F)c1>>N#CC(O)c1cccc(C(F)(F)F)c1	enzymemap_82410
AKRT001257	C#N.O=Cc1cccc(Cl)c1>>N#C[C@@H](O)c1cccc(Cl)c1	enzymemap_83101
AKRT001258	C#N.O=Cc1cccc(Cl)c1>>N#C[C@H](O)c1cccc(Cl)c1	enzymemap_82229
AKRT001259	C#N.O=Cc1cccc(Cl)c1Cl>>N#C[C@H](O)c1cccc(Cl)c1Cl	enzymemap_82373
AKRT001260	C#N.O=Cc1cccc(F)c1>>N#C[C@@H](O)c1cccc(F)c1	enzymemap_83102
AKRT001261	C#N.O=Cc1cccc(F)c1>>N#C[C@H](O)c1cccc(F)c1	enzymemap_82230
AKRT001262	C#N.O=Cc1cccc(I)c1>>N#C[C@H](O)c1cccc(I)c1	enzymemap_82231
AKRT001263	C#N.O=Cc1cccc(O)c1>>N#C[C@@H](O)c1cccc(O)c1	enzymemap_83071
AKRT001264	C#N.O=Cc1cccc(Oc2ccccc2)c1>>N#C[C@@H](O)c1cccc(Oc2ccccc2)c1	enzymemap_82932
AKRT001265	C#N.O=Cc1cccc(Oc2ccccc2)c1>>N#C[C@H](O)c1cccc(Oc2ccccc2)c1	enzymemap_82232
AKRT001266	C#N.O=Cc1cccc([N+](=O)[O-])c1>>N#C[C@H](O)c1cccc([N+](=O)[O-])c1	enzymemap_82407
AKRT001267	C#N.O=Cc1cccc2ccccc12>>N#C[C@H](O)c1cccc2ccccc12	enzymemap_82328
AKRT001268	C#N.O=Cc1ccccc1>>N#CC(O)c1ccccc1	enzymemap_82939
AKRT001269	C#N.O=Cc1ccccc1>>N#C[C@@H](O)c1ccccc1	MNXR194811
AKRT001270	C#N.O=Cc1ccccc1>>N#C[C@H](O)c1ccccc1	enzymemap_82195
AKRT001271	C#N.O=Cc1ccccc1Br>>N#C[C@@H](O)c1ccccc1Br	enzymemap_83065
AKRT001272	C#N.O=Cc1ccccc1Br>>N#C[C@H](O)c1ccccc1Br	enzymemap_82225
AKRT001273	C#N.O=Cc1ccccc1C(F)(F)F>>N#C[C@H](O)c1ccccc1C(F)(F)F	enzymemap_82395
AKRT001274	C#N.O=Cc1ccccc1Cl>>N#CC(O)c1ccccc1Cl	enzymemap_83008
AKRT001275	C#N.O=Cc1ccccc1Cl>>N#C[C@@H](O)c1ccccc1Cl	enzymemap_83066
AKRT001276	C#N.O=Cc1ccccc1Cl>>N#C[C@H](O)c1ccccc1Cl	enzymemap_82277
AKRT001277	C#N.O=Cc1ccccc1F>>N#C[C@@H](O)c1ccccc1F	enzymemap_83099
AKRT001278	C#N.O=Cc1ccccc1F>>N#C[C@H](O)c1ccccc1F	enzymemap_82226
AKRT001279	C#N.O=Cc1ccccc1I>>N#C[C@H](O)c1ccccc1I	enzymemap_82227
AKRT001280	C#N.O=Cc1ccccc1O>>N#C[C@@H](O)c1ccccc1O	enzymemap_83068
AKRT001281	C#N.O=Cc1ccccn1>>N#C[C@@H](O)c1ccccn1	enzymemap_82392
AKRT001282	C#N.O=Cc1cccnc1>>N#C[C@H](O)c1cccnc1	enzymemap_82330
AKRT001283	C#N.O=Cc1ccco1>>N#C[C@@H](O)c1ccco1	enzymemap_82327
AKRT001284	C#N.O=Cc1ccco1>>N#C[C@H](O)c1ccco1	enzymemap_82348
AKRT001285	C#N.O=Cc1cccs1>>N#CC(O)c1cccs1	enzymemap_82241
AKRT001286	C#N.O=Cc1cccs1>>N#C[C@@H](O)c1cccs1	enzymemap_82331
AKRT001287	C#N.O=Cc1cccs1>>N#C[C@H](O)c1cccs1	enzymemap_82364
AKRT001288	C#N.O=Cc1ccnc2ccccc12>>N#C[C@H](O)c1ccnc2ccccc12	enzymemap_82418
AKRT001289	C#N.O=Cc1ccncc1>>N#C[C@H](O)c1ccncc1	enzymemap_82417
AKRT001290	C#N.O=Cc1ccoc1>>N#CC(O)c1ccoc1	enzymemap_83012
AKRT001291	C#N.O=Cc1ccoc1>>N#C[C@@H](O)c1ccoc1	enzymemap_83094
AKRT001292	C#N.O=Cc1ccoc1>>N#C[C@H](O)c1ccoc1	enzymemap_83013
AKRT001293	C#N.O=Cc1ccsc1>>N#CC(O)c1ccsc1	enzymemap_83011
AKRT001294	C#N.O=Cc1ccsc1>>N#C[C@@H](O)c1ccsc1	enzymemap_83095
AKRT001295	C#N>>N#CS	R01931
AKRT001296	C#N>>N#C[S-]	THIOSULFATE-SULFURTRANSFERASE-RXN
AKRT001297	C#N>>NC=O	CYANIDE-HYDRATASE-RXN
AKRT001298	C#N>>O=CO	R00152
AKRT001479	C/C=C/C=C/C=O.C#N>>C/C=C/C=C/[C@@H](O)C#N	enzymemap_82213
AKRT001480	C/C=C/C=O.C#N>>C/C=C/C(O)C#N	enzymemap_83006
AKRT001481	C/C=C/C=O.C#N>>C/C=C/[C@@H](O)C#N	enzymemap_82901
AKRT001482	C/C=C/C=O.C#N>>C/C=C/[C@H](O)C#N	enzymemap_83060
AKRT001605	C=C(C)C=O.C#N>>C=C(C)[C@@H](O)C#N	enzymemap_82906
AKRT001613	C=C(C)COCC=O.C#N>>C=C(C)COCC(O)C#N	enzymemap_82992
AKRT001750	C=CC(C)=O.C#N>>C=C[C@@](C)(O)C#N	enzymemap_82907
AKRT001813	C=CC=O.C#N>>C=CC(O)C#N	enzymemap_82441
AKRT001814	C=CC=O.C#N>>C=C[C@@H](O)C#N	enzymemap_82898
AKRT001815	C=CC=O.C#N>>C=C[C@H](O)C#N	enzymemap_82443
AKRT001827	C=CCC1CCCCC1=O.C#N>>C=CC[C@@H]1CCCC[C@]1(O)C#N	enzymemap_82249
AKRT001828	C=CCC1CCCCC1=O.C#N>>C=CC[C@H]1CCCC[C@]1(O)C#N	enzymemap_82250
AKRT001839	C=CCOC(C)C=O.C#N>>C=CCOC(C)C(O)C#N	enzymemap_82995
AKRT001840	C=CCOC(C=O)CC.C#N>>C=CCOC(CC)C(O)C#N	enzymemap_82997
AKRT001841	C=CCOC(C=O)CCC.C#N>>C=CCOC(CCC)[C@H](O)C#N	enzymemap_82998
AKRT001842	C=CCOC(C=O)CCCC.C#N>>C=CCOC(CCCC)[C@H](O)C#N	enzymemap_82999
AKRT001843	C=CCOC(C=O)CCCCC.C#N>>C=CCOC(CCCCC)[C@H](O)C#N	enzymemap_83000
AKRT001844	C=CCOC1CCCCC1=O.C#N>>C=CCO[C@@H]1CCCC[C@]1(O)C#N	enzymemap_82252
AKRT001845	C=CCOC1CCCCC1=O.C#N>>C=CCO[C@H]1CCCC[C@]1(O)C#N	enzymemap_82251
AKRT001856	C=CCOc1ccc(C=O)cc1.C#N>>C=CCOc1ccc([C@@H](O)C#N)cc1	enzymemap_82411
AKRT002187	CC(=O)C(C)(C)C.C#N>>CC(C)(C)[C@@](C)(O)C#N	enzymemap_82397
AKRT002188	CC(=O)C(C)(C)C.C#N>>CC(C)(C)[C@](C)(O)C#N	enzymemap_83069
AKRT002189	CC(=O)C(C)C.C#N>>CC(C)[C@@](C)(O)C#N	enzymemap_82405
AKRT002190	CC(=O)C(C)C.C#N>>CC(C)[C@](C)(O)C#N	enzymemap_82945
AKRT002234	CC(=O)CC(C)C.C#N>>CC(C)C[C@@](C)(O)C#N	enzymemap_82414
AKRT002235	CC(=O)CC(C)C.C#N>>CC(C)C[C@](C)(O)C#N	enzymemap_83077
AKRT002241	CC(=O)CCC(C)C.C#N>>CC(C)CC[C@@](C)(O)C#N	enzymemap_82421
AKRT002244	CC(=O)CCC=C(C)C.C#N>>CC(C)=CCC[C@@](C)(O)C#N	enzymemap_82237
AKRT002245	CC(=O)CCC=C(C)C.C#N>>CC(C)=CCC[C@](C)(O)C#N	enzymemap_83080
AKRT002247	CC(=O)CCc1ccccc1.C#N>>C[C@@](O)(C#N)CCc1ccccc1	enzymemap_83079
AKRT002249	CC(=O)CCl.C#N>>C[C@@](O)(C#N)CCl	enzymemap_82900
AKRT002254	CC(=O)CO.C#N>>C[C@@](O)(C#N)CO	enzymemap_82903
AKRT002271	CC(=O)Cc1ccccc1.C#N>>C[C@@](O)(C#N)Cc1ccccc1	enzymemap_83064
AKRT004161	CC(=O)OCC[C@H](N)C(=O)O.C#N>>N#CCC[C@H](N)C(=O)O	enzymemap_40663
AKRT004256	CC(=O)OC[C@H](N)C(=O)O.C#N>>N#CC[C@H](N)C(=O)O	enzymemap_40592
AKRT004762	CC(=O)[Si](C)(C)C.C#N>>C[C@](O)(C#N)[Si](C)(C)C	enzymemap_82431
AKRT004770	CC(=O)c1ccccc1.C#N>>CC(O)(C#N)c1ccccc1	enzymemap_82345
AKRT004771	CC(=O)c1ccccc1.C#N>>C[C@@](O)(C#N)c1ccccc1	enzymemap_83063
AKRT004772	CC(=O)c1ccccc1.C#N>>C[C@](O)(C#N)c1ccccc1	enzymemap_82326
AKRT004819	CC(C)(C)C=O.C#N>>CC(C)(C)C(O)C#N	enzymemap_83004
AKRT004820	CC(C)(C)C=O.C#N>>CC(C)(C)[C@@H](O)C#N	enzymemap_82360
AKRT004821	CC(C)(C)C=O.C#N>>CC(C)(C)[C@H](O)C#N	enzymemap_83054
AKRT004842	CC(C)(C)[Si](C)(C)Oc1ccc(C=O)cc1.C#N>>CC(C)(C)[Si](C)(C)Oc1ccc([C@@H](O)C#N)cc1	enzymemap_82419
AKRT004843	CC(C)(C=O)CO.C#N>>CC(C)(CO)[C@@H](O)C#N	enzymemap_82904
AKRT004952	CC(C)(O)C#N>>C#N	ACETONE-CYANHYDRIN-LYASE-RXN
AKRT004953	CC(C)(O)C#N>>C#N.CC(C)=O	None
AKRT005337	CC(C)=O.C#N>>CC(C)(O)C#N	enzymemap_82888
AKRT005389	CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1>>C#N	enzymemap_54350
AKRT005390	CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1>>C#N.CC(C)C(C(=O)O)c1ccc(Cl)cc1.O=Cc1cccc(Oc2ccccc2)c1	None
AKRT005409	CC(C)C=O.C#N>>CC(C)C(O)C#N	enzymemap_82216
AKRT005410	CC(C)C=O.C#N>>CC(C)[C@@H](O)C#N	enzymemap_82361
AKRT005411	CC(C)C=O.C#N>>CC(C)[C@H](O)C#N	enzymemap_83055
AKRT006137	CC(C)OC1CCCCC1=O.C#N>>CC(C)O[C@@H]1CCCC[C@]1(O)C#N	enzymemap_82274
AKRT006138	CC(C)OC1CCCCC1=O.C#N>>CC(C)O[C@H]1CCCC[C@]1(O)C#N	enzymemap_82273
AKRT006181	CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1>>C#N	enzymemap_54356
AKRT006431	CC(C=O)Cc1ccccc1.C#N>>C[C@H](Cc1ccccc1)[C@H](O)C#N	enzymemap_83016
AKRT006432	CC(C=O)OCc1ccccc1.C#N>>CC(OCc1ccccc1)C(O)C#N	enzymemap_82994
AKRT006433	CC(C=O)OCc1ccccc1.C#N>>C[C@H](OCc1ccccc1)[C@@H](O)C#N	enzymemap_82287
AKRT006434	CC(C=O)c1ccc2ccccc2c1.C#N>>CC(c1ccc2ccccc2c1)C(O)C#N	enzymemap_82288
AKRT006436	CC(C=O)c1ccccc1.C#N>>CC(c1ccccc1)C(O)C#N	enzymemap_83018
AKRT006437	CC(C=O)c1ccccc1.C#N>>CC(c1ccccc1)[C@@H](O)C#N	enzymemap_82290
AKRT006452	CC(CC=O)c1ccccc1.C#N>>CC(C[C@H](O)C#N)c1ccccc1	enzymemap_83019
AKRT006673	CC/C(C)=C/C=O.C#N>>CC/C(C)=C/[C@@H](O)C#N	enzymemap_82211
AKRT006809	CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C>>C#N	enzymemap_54343
AKRT006810	CC1(C)C(C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C>>C#N	enzymemap_54351
AKRT006811	CC1(C)C(C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C>>C#N	enzymemap_54346
AKRT006812	CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1>>C#N	enzymemap_54349
AKRT006847	CC1(C)OC[C@@H](C=O)O1.C#N>>CC1(C)OC[C@@H](C(O)C#N)O1	enzymemap_82281
AKRT006848	CC1(C)OC[C@H](C=O)O1.C#N>>CC1(C)OC[C@H](C(O)C#N)O1	enzymemap_82278
AKRT006849	CC1(C)O[C@@H](c2ccccc2)[C@H](C=O)O1.C#N>>CC1(C)O[C@@H](c2ccccc2)[C@H](C(O)C#N)O1	enzymemap_82280
AKRT006852	CC1(C)O[C@H](C=O)[C@@H](c2ccccc2)O1.C#N>>CC1(C)O[C@H](c2ccccc2)[C@@H](C(O)C#N)O1	enzymemap_82283
AKRT006905	CC1(C)[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl>>C#N	enzymemap_54359
AKRT006906	CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1>>C#N	enzymemap_51495
AKRT006914	CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1>>C#N	enzymemap_54361
AKRT007033	CC1CCCC(=O)C1.C#N>>CC1CCC[C@@](O)(C#N)C1	enzymemap_82267
AKRT007034	CC1CCCCC1=O.C#N>>C[C@@H]1CCCC[C@]1(O)C#N	enzymemap_82260
AKRT007035	CC1CCCCC1=O.C#N>>C[C@H]1CCCC[C@]1(O)C#N	enzymemap_82259
AKRT007048	CC1SCCC1=O.C#N>>CC1SCCC1(O)C#N	enzymemap_82923
AKRT007211	CCC(C)(O)C#N>>C#N	enzymemap_82921
AKRT007214	CCC(C)=O.C#N>>CC[C@@](C)(O)C#N	enzymemap_82382
AKRT007215	CCC(C)=O.C#N>>CC[C@](C)(O)C#N	enzymemap_83081
AKRT007264	CCC(C=O)c1ccccc1.C#N>>CCC(c1ccccc1)C(O)C#N	enzymemap_83017
AKRT007298	CCC(O)C#N>>C#N	enzymemap_83022
AKRT007306	CCC/C=C/C=O.C#N>>CCC/C=C/C(O)C#N	enzymemap_82224
AKRT007307	CCC/C=C/C=O.C#N>>CCC/C=C/[C@@H](O)C#N	enzymemap_82212
AKRT007308	CCC/C=C/C=O.C#N>>CCC/C=C/[C@H](O)C#N	enzymemap_83053
AKRT007310	CCC/C=C\C=O.C#N>>CCC/C=C\[C@H](O)C#N	enzymemap_83028
AKRT007326	CCC1CCCCC1=O.C#N>>CC[C@H]1CCCC[C@]1(O)C#N	enzymemap_82255
AKRT007334	CCC=O.C#N>>CCC(O)C#N	enzymemap_82220
AKRT007335	CCC=O.C#N>>CC[C@@H](O)C#N	enzymemap_82363
AKRT007336	CCC=O.C#N>>CC[C@H](O)C#N	enzymemap_82912
AKRT007452	CCCC(C)=O.C#N>>CCC[C@@](C)(O)C#N	enzymemap_82358
AKRT007453	CCCC(C)=O.C#N>>CCC[C@](C)(O)C#N	enzymemap_83091
AKRT007491	CCCC1CCCCC1=O.C#N>>CCC[C@@H]1CCCC[C@]1(O)C#N	enzymemap_82264
AKRT007492	CCCC1CCCCC1=O.C#N>>CCC[C@H]1CCCC[C@]1(O)C#N	enzymemap_82263
AKRT007494	CCCC=O.C#N>>CCC[C@@H](O)C#N	enzymemap_82357
AKRT007495	CCCC=O.C#N>>CCC[C@H](O)C#N	enzymemap_82983
AKRT007512	CCCCC(=O)CC.C#N>>CCCC[C@](O)(C#N)CC	enzymemap_83086
AKRT007529	CCCCC(C)=O.C#N>>CCCC[C@@](C)(O)C#N	enzymemap_82354
AKRT007530	CCCCC(C)=O.C#N>>CCCC[C@](C)(O)C#N	enzymemap_83087
AKRT007552	CCCCC/C=C/C=O.C#N>>CCCCC/C=C/[C@H](O)C#N	enzymemap_82934
AKRT007859	CCCCC=O.C#N>>CCCCC(O)C#N	enzymemap_83002
AKRT007860	CCCCC=O.C#N>>CCCC[C@@H](O)C#N	enzymemap_82427
AKRT007861	CCCCC=O.C#N>>CCCC[C@H](O)C#N	enzymemap_83092
AKRT007882	CCCCCC(=O)CC.C#N>>CCCCC[C@](O)(C#N)CC	enzymemap_83089
AKRT007950	CCCCCC(C)=O.C#N>>CCCCC[C@@](C)(O)C#N	enzymemap_82222
AKRT007951	CCCCCC(C)=O.C#N>>CCCCC[C@](C)(O)C#N	enzymemap_83085
AKRT007958	CCCCCC(O)C#N>>C#N	enzymemap_82956
AKRT007998	CCCCCC=O.C#N>>CCCCCC(O)C#N	enzymemap_82956
AKRT007999	CCCCCC=O.C#N>>CCCCC[C@@H](O)C#N	enzymemap_82240
AKRT008037	CCCCCCC(C)=O.C#N>>CCCCCC[C@@](C)(O)C#N	enzymemap_82390
AKRT008137	CCCCCCCC(C)=O.C#N>>CCCCCCC[C@@](C)(O)C#N	enzymemap_82389
AKRT008421	CCCCCCCC=O.C#N>>CCCCCCC[C@H](O)C#N	enzymemap_83090
AKRT008435	CCCCCCCCC(C)=O.C#N>>CCCCCCCC[C@@](C)(O)C#N	enzymemap_82383
AKRT008447	CCCCCCCCC=O.C#N>>CCCCCCCCC(O)C#N	enzymemap_83046
AKRT008448	CCCCCCCCC=O.C#N>>CCCCCCCC[C@H](O)C#N	enzymemap_83088
AKRT008504	CCCCCCCCCC(C)=O.C#N>>CCCCCCCCC[C@@](C)(O)C#N	enzymemap_82396
AKRT008512	CCCCCCCCCC=O.C#N>>CCCCCCCCC[C@@H](O)C#N	enzymemap_82271
AKRT008513	CCCCCCCCCC=O.C#N>>CCCCCCCCC[C@H](O)C#N	enzymemap_82940
AKRT008521	CCCCCCCCCCC=O.C#N>>CCCCCCCCCC[C@@H](O)C#N	enzymemap_82275
AKRT008522	CCCCCCCCCCC=O.C#N>>CCCCCCCCCC[C@H](O)C#N	enzymemap_82946
AKRT008610	CCCCCCCCCCCC=O.C#N>>CCCCCCCCCCC[C@@H](O)C#N	enzymemap_82272
AKRT008611	CCCCCCCCCCCC=O.C#N>>CCCCCCCCCCC[C@H](O)C#N	enzymemap_82941
AKRT009485	CCCC[C@@](C)(O)C#N>>C#N	enzymemap_82354
AKRT009546	CCCOC1CCCCC1=O.C#N>>CCCO[C@@H]1CCCC[C@]1(O)C#N	enzymemap_82262
AKRT009547	CCCOC1CCCCC1=O.C#N>>CCCO[C@H]1CCCC[C@]1(O)C#N	enzymemap_82261
AKRT009605	CCC[C@](C)(O)C#N>>C#N	enzymemap_83058
AKRT009606	CCC[C@](C)(O)C#N>>C#N.CCCC(C)=O	None
AKRT009751	CCOC1CCCCC1=O.C#N>>CCO[C@@H]1CCCC[C@]1(O)C#N	enzymemap_82254
AKRT009752	CCOC1CCCCC1=O.C#N>>CCO[C@H]1CCCC[C@]1(O)C#N	enzymemap_82253
AKRT009753	CCOP(=O)(C#N)N(C)C>>C#N	enzymemap_58331
AKRT009754	CCOP(=O)(C#N)N(C)C>>C#N.CCOP(=O)(O)N(C)C	None
AKRT009849	CC[C@@](C)(O)C#N>>C#N	R09358
AKRT009850	CC[C@@](C)(O)C#N>>C#N.CCC(C)=O	None
AKRT010302	CC[C@](C)(O)C#N>>C#N	RXN-11733
AKRT010303	CC[C@](C)(O)C#N>>C#N.CCC(C)=O	None
AKRT011166	COC(C=O)Cc1ccccc1.C#N>>COC(Cc1ccccc1)C(O)C#N	enzymemap_82289
AKRT011169	COC(CC=O)c1ccccc1.C#N>>COC(CC(O)C#N)c1ccccc1	enzymemap_82293
AKRT011186	COC1=CCC(C=O)CC1.C#N>>COC1=CCC([C@H](O)C#N)CC1	enzymemap_83036
AKRT011187	COC1=CCC([C@H](O)C#N)CC1>>C#N	enzymemap_83036
AKRT011188	COC1=CCC([C@H](O)C#N)CC1>>C#N.COC1=CCC(C=O)CC1	None
AKRT011198	COC1CCCC(=O)C1.C#N>>COC1CCC[C@](O)(C#N)C1	enzymemap_82265
AKRT011199	COC1CCCCC1=O.C#N>>CO[C@@H]1CCCC[C@]1(O)C#N	enzymemap_82258
AKRT011200	COC1CCCCC1=O.C#N>>CO[C@H]1CCCC[C@]1(O)C#N	enzymemap_82257
AKRT011209	COCOC(C)C=O.C#N>>COCOC(C)C(O)C#N	enzymemap_82996
AKRT011210	COCOCC=O.C#N>>COCOCC(O)C#N	enzymemap_82993
AKRT011556	COc1cc(C(O)C#N)ccc1O>>C#N	enzymemap_82438
AKRT011557	COc1cc(C=O)c(OC)c(OC)c1.C#N>>COc1cc(OC)c(OC)c([C@@H](O)C#N)c1	enzymemap_82372
AKRT011558	COc1cc(C=O)cc(OC)c1.C#N>>COc1cc(OC)cc([C@@H](O)C#N)c1	enzymemap_82402
AKRT011559	COc1cc(C=O)cc(OC)c1OC.C#N>>COc1cc([C@@H](O)C#N)cc(OC)c1OC	enzymemap_82398
AKRT011765	COc1ccc(C(O)C#N)cc1O>>C#N	enzymemap_82439
AKRT011767	COc1ccc(C=O)c(OC)c1.C#N>>COc1ccc([C@@H](O)C#N)c(OC)c1	enzymemap_82376
AKRT011768	COc1ccc(C=O)c(OC)c1OC.C#N>>COc1ccc([C@@H](O)C#N)c(OC)c1OC	enzymemap_82370
AKRT011769	COc1ccc(C=O)cc1.C#N>>COc1ccc(C(O)C#N)cc1	enzymemap_82985
AKRT011770	COc1ccc(C=O)cc1.C#N>>COc1ccc([C@@H](O)C#N)cc1	enzymemap_82217
AKRT011771	COc1ccc(C=O)cc1.C#N>>COc1ccc([C@H](O)C#N)cc1	enzymemap_82965
AKRT011772	COc1ccc(C=O)cc1OC.C#N>>COc1ccc([C@@H](O)C#N)cc1OC	enzymemap_82400
AKRT011833	COc1ccc(OC)c(C=O)c1.C#N>>COc1ccc(OC)c([C@@H](O)C#N)c1	enzymemap_82379
AKRT011835	COc1ccc([C@@H](O)C#N)cc1>>C#N	enzymemap_82322
AKRT011836	COc1ccc([C@@H](O)C#N)cc1>>C#N.COc1ccc(C=O)cc1	None
AKRT011942	COc1cccc(C=O)c1.C#N>>COc1cccc([C@@H](O)C#N)c1	enzymemap_82313
AKRT011943	COc1cccc(C=O)c1.C#N>>COc1cccc([C@H](O)C#N)c1	enzymemap_83031
AKRT011944	COc1cccc(C=O)c1OC.C#N>>COc1cccc([C@@H](O)C#N)c1OC	enzymemap_82374
AKRT011949	COc1cccc(OC)c1C=O.C#N>>COc1cccc(OC)c1[C@@H](O)C#N	enzymemap_82381
AKRT011950	COc1cccc([C@@H](O)C#N)c1>>C#N	enzymemap_82313
AKRT011973	COc1ccccc1C=O.C#N>>COc1ccccc1[C@@H](O)C#N	enzymemap_82311
AKRT011974	COc1ccccc1C=O.C#N>>COc1ccccc1[C@H](O)C#N	enzymemap_83030
AKRT011980	COc1ccccc1[C@@H](O)C#N>>C#N	enzymemap_82311
AKRT012628	CSc1ccc(C=O)cc1.C#N>>CSc1ccc([C@@H](O)C#N)cc1	enzymemap_82309
AKRT013032	C[C@@H]1OC(C)(C)O[C@H]1C=O.C#N>>C[C@@H]1OC(C)(C)O[C@H]1C(O)C#N	enzymemap_82279
AKRT014051	C[C@H]1OC(C)(C)O[C@@H]1C=O.C#N>>C[C@H]1OC(C)(C)O[C@@H]1C(O)C#N	enzymemap_82282
AKRT014168	C[C@](O)(C#N)c1ccccc1>>C#N	enzymemap_82326
AKRT014784	C[Si](C)(C)OC1=CCC(C=O)CC1.C#N>>C[Si](C)(C)OC1=CCC([C@H](O)C#N)CC1	enzymemap_83038
AKRT014785	C[Si](C)(C)OC1=CCC([C@H](O)C#N)CC1>>C#N	enzymemap_83038
AKRT014786	C[Si](C)(C)OC1=CCC([C@H](O)C#N)CC1>>C#N.C[Si](C)(C)OC1=CCC(C=O)CC1	None
AKRT015015	Cc1ccc(C=O)c(C)c1.C#N>>Cc1ccc([C@@H](O)C#N)c(C)c1	enzymemap_82343
AKRT015016	Cc1ccc(C=O)c(C)c1.C#N>>Cc1ccc([C@H](O)C#N)c(C)c1	enzymemap_83107
AKRT015017	Cc1ccc(C=O)cc1.C#N>>Cc1ccc([C@@H](O)C#N)cc1	enzymemap_82323
AKRT015018	Cc1ccc(C=O)cc1.C#N>>Cc1ccc([C@H](O)C#N)cc1	enzymemap_83076
AKRT015031	Cc1ccc([C@@H](O)C#N)cc1>>C#N	enzymemap_82323
AKRT015044	Cc1cccc(C=O)c1.C#N>>Cc1cccc([C@@H](O)C#N)c1	enzymemap_82342
AKRT015045	Cc1cccc(C=O)c1.C#N>>Cc1cccc([C@H](O)C#N)c1	enzymemap_83110
AKRT015056	Cc1ccccc1C=O.C#N>>Cc1ccccc1[C@@H](O)C#N	enzymemap_82350
AKRT015057	Cc1ccccc1C=O.C#N>>Cc1ccccc1[C@H](O)C#N	enzymemap_83108
AKRT015583	N#CC(O)c1ccccc1>>C#N	MNXR173026
AKRT015584	N#CC(O)c1ccccc1>>C#N.O=Cc1ccccc1	None
AKRT015594	N#CC(SC[C@H](N)C(=O)O)c1c[nH]c2ccccc12>>C#N	RXN-11666
AKRT015611	N#CCCC(N)C(=O)O>>C#N	MNXR142005
AKRT015635	N#CC[C@H](N)C(=O)O>>C#N	MNXR132699
AKRT015667	N#C[C@@H](O)C1CCC(=O)CC1>>C#N	enzymemap_83037
AKRT015668	N#C[C@@H](O)C1CCC(=O)CC1>>C#N.O=CC1CCC(=O)CC1	None
AKRT015669	N#C[C@@H](O)c1ccc(Br)cc1>>C#N	enzymemap_83103
AKRT015670	N#C[C@@H](O)c1ccc(Br)cc1>>C#N.O=Cc1ccc(Br)cc1	None
AKRT015671	N#C[C@@H](O)c1ccc(Cl)cc1>>C#N	enzymemap_83104
AKRT015672	N#C[C@@H](O)c1ccc(Cl)cc1>>C#N.O=Cc1ccc(Cl)cc1	None
AKRT015673	N#C[C@@H](O)c1ccc(F)cc1>>C#N	enzymemap_83105
AKRT015674	N#C[C@@H](O)c1ccc(F)cc1>>C#N.O=Cc1ccc(F)cc1	None
AKRT015676	N#C[C@@H](O)c1ccc(O)cc1>>C#N	HYDROXYMANDELONITRILE-LYASE-RXN
AKRT015677	N#C[C@@H](O)c1ccc(O)cc1>>C#N.O=Cc1ccc(O)cc1	None
AKRT015680	N#C[C@@H](O)c1cccc(Br)c1>>C#N	enzymemap_83100
AKRT015681	N#C[C@@H](O)c1cccc(Br)c1>>C#N.O=Cc1cccc(Br)c1	None
AKRT015682	N#C[C@@H](O)c1cccc(Cl)c1>>C#N	enzymemap_83101
AKRT015683	N#C[C@@H](O)c1cccc(Cl)c1>>C#N.O=Cc1cccc(Cl)c1	None
AKRT015684	N#C[C@@H](O)c1cccc(F)c1>>C#N	enzymemap_83102
AKRT015685	N#C[C@@H](O)c1cccc(F)c1>>C#N.O=Cc1cccc(F)c1	None
AKRT015686	N#C[C@@H](O)c1cccc(Oc2ccccc2)c1>>C#N	enzymemap_82953
AKRT015687	N#C[C@@H](O)c1cccc(Oc2ccccc2)c1>>C#N.O=Cc1cccc(Oc2ccccc2)c1	None
AKRT015689	N#C[C@@H](O)c1ccccc1>>C#N	enzymemap_82445
AKRT015690	N#C[C@@H](O)c1ccccc1>>C#N.O=Cc1ccccc1	None
AKRT015694	N#C[C@@H](O)c1ccccc1Br>>C#N	enzymemap_83097
AKRT015695	N#C[C@@H](O)c1ccccc1Br>>C#N.O=Cc1ccccc1Br	None
AKRT015696	N#C[C@@H](O)c1ccccc1Cl>>C#N	enzymemap_83098
AKRT015697	N#C[C@@H](O)c1ccccc1Cl>>C#N.O=Cc1ccccc1Cl	None
AKRT015698	N#C[C@@H](O)c1ccccc1F>>C#N	enzymemap_83099
AKRT015699	N#C[C@@H](O)c1ccccc1F>>C#N.O=Cc1ccccc1F	None
AKRT015700	N#C[C@@H](O)c1ccco1>>C#N	enzymemap_82353
AKRT015701	N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1>>C#N	enzymemap_60840
AKRT015723	N#C[C@H](O)CCc1ccccc1>>C#N	enzymemap_82337
AKRT015724	N#C[C@H](O)c1ccc(F)cc1>>C#N	enzymemap_82319
AKRT015727	N#C[C@H](O)c1ccc(O)cc1>>C#N	enzymemap_82196
AKRT015729	N#C[C@H](O)c1cccc(Cl)c1>>C#N	enzymemap_82312
AKRT015730	N#C[C@H](O)c1cccc(Oc2ccccc2)c1>>C#N	enzymemap_82314
AKRT015734	N#C[C@H](O)c1ccccc1>>C#N	MANDELONITRILE-LYASE-RXN
AKRT015735	N#C[C@H](O)c1ccccc1>>C#N.O=Cc1ccccc1	None
AKRT015740	N#C[C@H](O)c1ccccc1Cl>>C#N	enzymemap_82335
AKRT015742	N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1>>C#N	RXN-13600
AKRT015775	N#C[S-]>>C#N	MNXR142005
AKRT015786	N#Cc1cc(Br)c(O)c(Br)c1>>C#N	R07779
AKRT017472	NC1(C(=O)O)CC1>>C#N	ETHYL-RXN
AKRT017764	NCC(=O)O>>C#N	R05704
AKRT023656	O=C=O>>C#N	MNXR134204