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EVODEX.1-R1653

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][N:2]([C:1]([H:48])([H:49])[H:50])[C:3]1([H:36])[C:4]([H:37])([H:38])[C:5]([H:39])([H:40])[C:6]([H:41])([H:42])[C:7]([H:43])([H:44])[C:8]1([H:45])[H:46].[C:9]([S+:10]([C:11]([C:12]([C@:13]([N:14]([H:51])[H:52])([C:15](=[O:16])[O:17][H:53])[H:54])([H:55])[H:56])([H:57])[H:58])[C:18]([C@@:19]1([H:59])[O:20][C@:21]([N:22]2:[C:23]([H:60]):[N:24]:[C:25]3:[C:26]([N:27]([H:61])[H:62]):[N:28]:[C:29]([H:63]):[N:30]:[C:31]:2:3)([H:64])[C@@:32]([O:33][H:65])([H:66])[C@@:34]1([O:35][H:67])[H:68])([H:69])[H:70])([H:71])([H:72])[H:73]>>[C:1]([N:2]([C:3]1([H:36])[C:4]([H:37])([H:38])[C:5]([H:39])([H:40])[C:6]([H:41])([H:42])[C:7]([H:43])([H:44])[C:8]1([H:45])[H:46])[C:9]([H:71])([H:72])[H:73])([H:48])([H:49])[H:50].[HH].[S:10]([C:11]([C:12]([C@:13]([N:14]([H:51])[H:52])([C:15](=[O:16])[O:17][H:53])[H:54])([H:55])[H:56])([H:57])[H:58])[C:18]([C@@:19]1([H:59])[O:20][C@:21]([N:22]2:[C:23]([H:60]):[N:24]:[C:25]3:[C:26]([N:27]([H:61])[H:62]):[N:28]:[C:29]([H:63]):[N:30]:[C:31]:2:3)([H:64])[C@@:32]([O:33][H:65])([H:66])[C@@:34]1([O:35][H:67])[H:68])([H:69])[H:70]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
105428 S-adenosyl-L-methionine + N-methylcyclohexylamine = S-adenosyl-L-homocysteine + N,N-dimethylcyclohexylamine False Oryctolagus cuniculus nan 2.1.1.49

Derived Partial Reactions

EVODEX.1-P1224

[H]C([H])([H])[S+:2]([C:3]([C:4]([C@:5]([N:6]([H:37])[H:38])([C:7](=[O:8])[O:9][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:10]([C@@:11]1([H:45])[O:12][C@:13]([N:14]2:[C:15]([H:46]):[N:16]:[C:17]3:[C:18]([N:19]([H:47])[H:48]):[N:20]:[C:21]([H:49]):[N:22]:[C:23]:2:3)([H:50])[C@@:24]([O:25][H:51])([H:52])[C@@:26]1([O:27][H:53])[H:54])([H:55])[H:56]>>[S:2]([C:3]([C:4]([C@:5]([N:6]([H:37])[H:38])([C:7](=[O:8])[O:9][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:10]([C@@:11]1([H:45])[O:12][C@:13]([N:14]2:[C:15]([H:46]):[N:16]:[C:17]3:[C:18]([N:19]([H:47])[H:48]):[N:20]:[C:21]([H:49]):[N:22]:[C:23]:2:3)([H:50])[C@@:24]([O:25][H:51])([H:52])[C@@:26]1([O:27][H:53])[H:54])([H:55])[H:56]

[H]C([H])([H])[S+:2]([C:3]([C:4]([C@:5]([N:6]([H:37])[H:38])([C:7](=[O:8])[O:9][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:10]([C@@:11]1([H:45])[O:12][C@:13]([N:14]2:[C:15]([H:46]):[N:16]:[C:17]3:[C:18]([N:19]([H:47])[H:48]):[N:20]:[C:21]([H:49]):[N:22]:[C:23]:2:3)([H:50])[C@@:24]([O:25][H:51])([H:52])[C@@:26]1([O:27][H:53])[H:54])([H:55])[H:56]>>[S:2]([C:3]([C:4]([C@:5]([N:6]([H:37])[H:38])([C:7](=[O:8])[O:9][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:10]([C@@:11]1([H:45])[O:12][C@:13]([N:14]2:[C:15]([H:46]):[N:16]:[C:17]3:[C:18]([N:19]([H:47])[H:48]):[N:20]:[C:21]([H:49]):[N:22]:[C:23]:2:3)([H:50])[C@@:24]([O:25][H:51])([H:52])[C@@:26]1([O:27][H:53])[H:54])([H:55])[H:56]

EVODEX.1-P1291

[H][N:2]([C:1]([H:48])([H:49])[H:50])[C:3]1([H:36])[C:4]([H:37])([H:38])[C:5]([H:39])([H:40])[C:6]([H:41])([H:42])[C:7]([H:43])([H:44])[C:8]1([H:45])[H:46].[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:9]([H:71])([H:72])[H:73]>>[C:1]([N:2]([C:3]1([H:36])[C:4]([H:37])([H:38])[C:5]([H:39])([H:40])[C:6]([H:41])([H:42])[C:7]([H:43])([H:44])[C:8]1([H:45])[H:46])[C:9]([H:71])([H:72])[H:73])([H:48])([H:49])[H:50]

[H][N:2]([C:1]([H:48])([H:49])[H:50])[C:3]1([H:36])[C:4]([H:37])([H:38])[C:5]([H:39])([H:40])[C:6]([H:41])([H:42])[C:7]([H:43])([H:44])[C:8]1([H:45])[H:46].[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:9]([H:71])([H:72])[H:73]>>[C:1]([N:2]([C:3]1([H:36])[C:4]([H:37])([H:38])[C:5]([H:39])([H:40])[C:6]([H:41])([H:42])[C:7]([H:43])([H:44])[C:8]1([H:45])[H:46])[C:9]([H:71])([H:72])[H:73])([H:48])([H:49])[H:50]