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EVODEX.1-R3194

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
139114 sucrose + 4-chlorobutanol = 4-chlorobutyl alpha-D-glucopyranoside + D-fructose False Streptococcus oralis nan 2.4.1.5

Derived Partial Reactions

EVODEX.1-P2450

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

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