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EVODEX.1-R5372

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:39])[C:6]([O:7][C@:8]2([H:40])[O:9][C@@:10]([C:11]([O:12][H:41])([H:42])[H:43])([H:44])[C@@:13]([O:14][H:45])([H:46])[C@@:15]([O:16][H:47])([H:48])[C@:17]2([O:18][H:49])[H:50])([H:51])[C@:19]([O:20][H:52])([H:53])[C@:21]([C:22]([O:23][H:54])([H:55])[H:56])([H:57])[O:24][C@@:25]1([O:26][C:27]1:[C:28]([H:58]):[C:29]([H:59]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:60]):[C:35]:1[H:61])[H:62])[H:63])([H:64])([H:65])[H:66].[H][O:38][C:37]([C:36]([H:70])([H:71])[H:72])([H:68])[H:69]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:39])[C:6]([O:7][C@:8]2([H:40])[O:9][C@@:10]([C:11]([O:12][H:41])([H:42])[H:43])([H:44])[C@@:13]([O:14][H:45])([H:46])[C@@:15]([O:16][H:47])([H:48])[C@:17]2([O:18][H:49])[H:50])([H:51])[C@:19]([O:20][H:52])([H:53])[C@:21]([C:22]([O:23][H:54])([H:55])[H:56])([H:57])[O:24][C@:25]1([O:38][C:37]([C:36]([H:70])([H:71])[H:72])([H:68])[H:69])[H:62])[H:63])([H:64])([H:65])[H:66].[H][O:26][C:27]1:[C:28]([H:58]):[C:29]([H:59]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:60]):[C:35]:1[H:61]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
233456 beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-O)-p-nitrophenyl + ethanol = beta-D-Gal-(1-3)-alpha-D-GalNAc-(1-O)-ethyl + p-nitrophenol False Bacillus sp. (in: Bacteria) nan 3.2.1.97

Derived Partial Reactions

EVODEX.1-P4536

[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:39])[C:6]([O:7][C@:8]2([H:40])[O:9][C@@:10]([C:11]([O:12][H:41])([H:42])[H:43])([H:44])[C@@:13]([O:14][H:45])([H:46])[C@@:15]([O:16][H:47])([H:48])[C@:17]2([O:18][H:49])[H:50])([H:51])[C@:19]([O:20][H:52])([H:53])[C@:21]([C:22]([O:23][H:54])([H:55])[H:56])([H:57])[O:24][C@@:25]1([O:26][C:27]1:[C:28]([H:58]):[C:29]([H:59]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:60]):[C:35]:1[H:61])[H:62])[H:63])([H:64])([H:65])[H:66].[H][O:38][C:37]([C:36]([H:70])([H:71])[H:72])([H:68])[H:69]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:39])[C:6]([O:7][C@:8]2([H:40])[O:9][C@@:10]([C:11]([O:12][H:41])([H:42])[H:43])([H:44])[C@@:13]([O:14][H:45])([H:46])[C@@:15]([O:16][H:47])([H:48])[C@:17]2([O:18][H:49])[H:50])([H:51])[C@:19]([O:20][H:52])([H:53])[C@:21]([C:22]([O:23][H:54])([H:55])[H:56])([H:57])[O:24][C@:25]1([O:38][C:37]([C:36]([H:70])([H:71])[H:72])([H:68])[H:69])[H:62])[H:63])([H:64])([H:65])[H:66].[H][O:26][C:27]1:[C:28]([H:58]):[C:29]([H:59]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:60]):[C:35]:1[H:61]

[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:39])[C:6]([O:7][C@:8]2([H:40])[O:9][C@@:10]([C:11]([O:12][H:41])([H:42])[H:43])([H:44])[C@@:13]([O:14][H:45])([H:46])[C@@:15]([O:16][H:47])([H:48])[C@:17]2([O:18][H:49])[H:50])([H:51])[C@:19]([O:20][H:52])([H:53])[C@:21]([C:22]([O:23][H:54])([H:55])[H:56])([H:57])[O:24][C@@:25]1([O:26][C:27]1:[C:28]([H:58]):[C:29]([H:59]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:60]):[C:35]:1[H:61])[H:62])[H:63])([H:64])([H:65])[H:66].[H][O:38][C:37]([C:36]([H:70])([H:71])[H:72])([H:68])[H:69]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:39])[C:6]([O:7][C@:8]2([H:40])[O:9][C@@:10]([C:11]([O:12][H:41])([H:42])[H:43])([H:44])[C@@:13]([O:14][H:45])([H:46])[C@@:15]([O:16][H:47])([H:48])[C@:17]2([O:18][H:49])[H:50])([H:51])[C@:19]([O:20][H:52])([H:53])[C@:21]([C:22]([O:23][H:54])([H:55])[H:56])([H:57])[O:24][C@:25]1([O:38][C:37]([C:36]([H:70])([H:71])[H:72])([H:68])[H:69])[H:62])[H:63])([H:64])([H:65])[H:66].[H][O:26][C:27]1:[C:28]([H:58]):[C:29]([H:59]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:60]):[C:35]:1[H:61]

EVODEX.1-P4537

[H][O:38][C:37]([C:36]([H:70])([H:71])[H:72])([H:68])[H:69]>>[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2([H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])([O:38][C:37]([C:36]([H:70])([H:71])[H:72])([H:68])[H:69])[C@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]

[H][O:38][C:37]([C:36]([H:70])([H:71])[H:72])([H:68])[H:69]>>[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2([H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])([O:38][C:37]([C:36]([H:70])([H:71])[H:72])([H:68])[H:69])[C@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]