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EVODEX.1-R4710

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1](#[C:2][C@@:3]1([O:4][C:5](=[O:6])[C:7]([C:8]([H:34])([H:35])[H:36])([H:37])[H:38])[C:9]([H:39])([H:40])[C@:10]2([H:41])[C:11]([H:42])([H:43])[C:12]([H:44])([H:45])[C@:13]3([H:46])[C@:14]([H:47])([C:15]([H:48])([H:49])[C:16]([H:50])([H:51])[C@@:17]4([C:18]([H:52])([H:53])[H:54])[C@@:19]3([H:55])[C:20]([H:56])([H:57])[C:21]([H:58])([H:59])[C@:22]4([C:23]#[C:24][H:60])[O:25][C:26](=[O:27])[C:28]([C:29]([H:61])([H:62])[H:63])([H:64])[H:65])[C@@:30]2([C:31]([H:66])([H:67])[H:68])[C:32]1([H:69])[H:70])[H:71].[H][O:33][H:72]>>[C:1](#[C:2][C@@:3]1([O:4][C:5](=[O:6])[C:7]([C:8]([H:34])([H:35])[H:36])([H:37])[H:38])[C:9]([H:39])([H:40])[C@:10]2([H:41])[C:11]([H:42])([H:43])[C:12]([H:44])([H:45])[C@:13]3([H:46])[C@:14]([H:47])([C:15]([H:48])([H:49])[C:16]([H:50])([H:51])[C@@:17]4([C:18]([H:52])([H:53])[H:54])[C@@:19]3([H:55])[C:20]([H:56])([H:57])[C:21]([H:58])([H:59])[C@@:22]4([C:23]#[C:24][H:60])[O:33][H:72])[C@@:30]2([C:31]([H:66])([H:67])[H:68])[C:32]1([H:69])[H:70])[H:71].[H][O:25][C:26](=[O:27])[C:28]([C:29]([H:61])([H:62])[H:63])([H:64])[H:65]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
192309 2alpha,17alpha-diethynyl-A-nor-5alpha-androstane-2beta,17beta-diol dipropionate + 2 H2O = anordiol + 2 propanoate True Homo sapiens O00748 swissprot 3.1.1.1

Derived Partial Reactions

EVODEX.1-P3850

[C:1](#[C:2][C@@:3]1([O:4][C:5](=[O:6])[C:7]([C:8]([H:34])([H:35])[H:36])([H:37])[H:38])[C:9]([H:39])([H:40])[C@:10]2([H:41])[C:11]([H:42])([H:43])[C:12]([H:44])([H:45])[C@:13]3([H:46])[C@:14]([H:47])([C:15]([H:48])([H:49])[C:16]([H:50])([H:51])[C@@:17]4([C:18]([H:52])([H:53])[H:54])[C@@:19]3([H:55])[C:20]([H:56])([H:57])[C:21]([H:58])([H:59])[C@:22]4([C:23]#[C:24][H:60])[O:25][C:26](=[O:27])[C:28]([C:29]([H:61])([H:62])[H:63])([H:64])[H:65])[C@@:30]2([C:31]([H:66])([H:67])[H:68])[C:32]1([H:69])[H:70])[H:71]>>[H]O[C@@:22]1([C:23]#[C:24][H:60])[C@@:17]2([C:18]([H:52])([H:53])[H:54])[C:16]([H:50])([H:51])[C:15]([H:48])([H:49])[C@@:14]3([H:47])[C@@:13]([H:46])([C:12]([H:44])([H:45])[C:11]([H:42])([H:43])[C@@:10]4([H:41])[C:9]([H:39])([H:40])[C@@:3]([C:2]#[C:1][H:71])([O:4][C:5](=[O:6])[C:7]([C:8]([H:34])([H:35])[H:36])([H:37])[H:38])[C:32]([H:69])([H:70])[C@@:30]43[C:31]([H:66])([H:67])[H:68])[C@:19]2([H:55])[C:20]([H:56])([H:57])[C:21]1([H:58])[H:59].[H][O:25][C:26](=[O:27])[C:28]([C:29]([H:61])([H:62])[H:63])([H:64])[H:65]

[C:1](#[C:2][C@@:3]1([O:4][C:5](=[O:6])[C:7]([C:8]([H:34])([H:35])[H:36])([H:37])[H:38])[C:9]([H:39])([H:40])[C@:10]2([H:41])[C:11]([H:42])([H:43])[C:12]([H:44])([H:45])[C@:13]3([H:46])[C@:14]([H:47])([C:15]([H:48])([H:49])[C:16]([H:50])([H:51])[C@@:17]4([C:18]([H:52])([H:53])[H:54])[C@@:19]3([H:55])[C:20]([H:56])([H:57])[C:21]([H:58])([H:59])[C@:22]4([C:23]#[C:24][H:60])[O:25][C:26](=[O:27])[C:28]([C:29]([H:61])([H:62])[H:63])([H:64])[H:65])[C@@:30]2([C:31]([H:66])([H:67])[H:68])[C:32]1([H:69])[H:70])[H:71]>>[H]O[C@@:22]1([C:23]#[C:24][H:60])[C@@:17]2([C:18]([H:52])([H:53])[H:54])[C:16]([H:50])([H:51])[C:15]([H:48])([H:49])[C@@:14]3([H:47])[C@@:13]([H:46])([C:12]([H:44])([H:45])[C:11]([H:42])([H:43])[C@@:10]4([H:41])[C:9]([H:39])([H:40])[C@@:3]([C:2]#[C:1][H:71])([O:4][C:5](=[O:6])[C:7]([C:8]([H:34])([H:35])[H:36])([H:37])[H:38])[C:32]([H:69])([H:70])[C@@:30]43[C:31]([H:66])([H:67])[H:68])[C@:19]2([H:55])[C:20]([H:56])([H:57])[C:21]1([H:58])[H:59].[H][O:25][C:26](=[O:27])[C:28]([C:29]([H:61])([H:62])[H:63])([H:64])[H:65]