Ethanol → HCID 67080412, compound
Reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:45][CH2:46][OH:47].[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[cH:14][cH:15][c:16]([C:19]([NH:20][CH2:21][CH:22]([O:23][CH3:24])[c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)=[O:32])[cH:17][cH:18]1)[O:8][CH2:7][CH2:6][CH:5]2[C:33](=[O:34])[O:35][CH2:36][CH3:37].[Na+:39].[OH-:38]>>[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[cH:14][cH:15][c:16]([C:19]([NH:20][CH2:21][CH:22]([O:23][CH3:24])[c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)=[O:32])[cH:17][cH:18]1)[O:8][CH2:7][CH2:6][CH:5]2[C:33](=[O:34])[OH:35]Participants
6
Sources & evidence
- ORD record
- ord-5de8ee4e42cc48fe9c09bdec90857e37
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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