Bicarbonate Ion → 14,15-Epoxycholest-7-en-3-yl benzoate
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[CH2:11][CH:12]2[CH2:13][CH:14]=[C:15]3[C:16]4=[CH:17][CH2:18][CH:19]([CH:20]([CH2:21][CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[CH3:27])[C:28]4([CH3:36])[CH2:29][CH2:30][CH:31]3[C:32]2([CH3:35])[CH2:33][CH2:34]1.[C:37]([O-:38])(=[O:39])[OH:40].[CH3:54][O:55][C:56]([CH3:57])([CH3:58])[CH3:59].[Cl:42][c:43]1[cH:44][cH:45][cH:46][c:47]([C:48]([O:49][OH:50])=[O:51])[cH:52]1.[Na+:41].[OH2:53]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[CH2:11][CH:12]2[CH2:13][CH:14]=[C:15]3[C:16]45[CH:17]([CH2:18][CH:19]([CH:20]([CH2:21][CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[CH3:27])[C:28]4([CH3:36])[CH2:29][CH2:30][CH:31]3[C:32]2([CH3:35])[CH2:33][CH2:34]1)[O:38]5Participants
7
Sources & evidence
- ORD record
- ord-e227fa5dc4e547a4906f1967f4ce829d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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