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EVODEX.1-R4926

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([H:30])([H:31])[H:32])([H:33])[H:34])([C:8]([O:9][C:10](=[O:11])[C:12]1:[C:13]([H:35]):[C:14]([H:36]):[C:15]([H:37]):[C:16]([H:38]):[C:17]:1[C:18](=[O:19])[O:20][C:21]([C:22]([C:23]([C:24]([H:39])([H:40])[H:41])([H:42])[H:43])([C:25]([C:26]([C:27]([C:28]([H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([H:54])[H:55])([H:56])[H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])([H:66])[H:67].[H][O:29][H:68]>>[C:21]([C:22]([C:23]([C:24]([H:39])([H:40])[H:41])([H:42])[H:43])([C:25]([C:26]([C:27]([C:28]([H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([O:29][H:68])([H:54])[H:55].[H][O:20][C:18]([C:17]1:[C:12]([C:10]([O:9][C:8]([C:5]([C:4]([C:3]([C:2]([C:1]([H:65])([H:66])[H:67])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([C:6]([C:7]([H:30])([H:31])[H:32])([H:33])[H:34])[H:58])([H:56])[H:57])=[O:11]):[C:13]([H:35]):[C:14]([H:36]):[C:15]([H:37]):[C:16]:1[H:38])=[O:19]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
199687 bis(2-ethylhexyl)phthalate + H2O = 2-ethylhexyl phthalate + 2-ethylhexan-1-ol True Homo sapiens nan 3.1.1.60

Derived Partial Reactions

EVODEX.1-P4082

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([H:30])([H:31])[H:32])([H:33])[H:34])([C:8]([O:9][C:10](=[O:11])[C:12]1:[C:13]([H:35]):[C:14]([H:36]):[C:15]([H:37]):[C:16]([H:38]):[C:17]:1[C:18](=[O:19])[O:20][C:21]([C:22]([C:23]([C:24]([H:39])([H:40])[H:41])([H:42])[H:43])([C:25]([C:26]([C:27]([C:28]([H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([H:54])[H:55])([H:56])[H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])([H:66])[H:67].[H][O:29][H:68]>>[C:21]([C:22]([C:23]([C:24]([H:39])([H:40])[H:41])([H:42])[H:43])([C:25]([C:26]([C:27]([C:28]([H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([O:29][H:68])([H:54])[H:55].[H][O:20][C:18]([C:17]1:[C:12]([C:10]([O:9][C:8]([C:5]([C:4]([C:3]([C:2]([C:1]([H:65])([H:66])[H:67])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([C:6]([C:7]([H:30])([H:31])[H:32])([H:33])[H:34])[H:58])([H:56])[H:57])=[O:11]):[C:13]([H:35]):[C:14]([H:36]):[C:15]([H:37]):[C:16]:1[H:38])=[O:19]

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([H:30])([H:31])[H:32])([H:33])[H:34])([C:8]([O:9][C:10](=[O:11])[C:12]1:[C:13]([H:35]):[C:14]([H:36]):[C:15]([H:37]):[C:16]([H:38]):[C:17]:1[C:18](=[O:19])[O:20][C:21]([C:22]([C:23]([C:24]([H:39])([H:40])[H:41])([H:42])[H:43])([C:25]([C:26]([C:27]([C:28]([H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([H:54])[H:55])([H:56])[H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])([H:66])[H:67].[H][O:29][H:68]>>[C:21]([C:22]([C:23]([C:24]([H:39])([H:40])[H:41])([H:42])[H:43])([C:25]([C:26]([C:27]([C:28]([H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([O:29][H:68])([H:54])[H:55].[H][O:20][C:18]([C:17]1:[C:12]([C:10]([O:9][C:8]([C:5]([C:4]([C:3]([C:2]([C:1]([H:65])([H:66])[H:67])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([C:6]([C:7]([H:30])([H:31])[H:32])([H:33])[H:34])[H:58])([H:56])[H:57])=[O:11]):[C:13]([H:35]):[C:14]([H:36]):[C:15]([H:37]):[C:16]:1[H:38])=[O:19]