Ethanol → HCID 67152508, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][C:14]([CH2:15][CH:16]1[CH2:17][CH2:18][N:19]([c:22]2[c:23]3[c:24]([n:25][c:26]([CH3:28])[cH:27]2)[n:29](-[c:33]2[c:34]([CH3:41])[cH:35][c:36]([Br:40])[cH:37][c:38]2[CH3:39])[cH:30][c:31]3[CH3:32])[CH2:20][CH2:21]1)=[O:42])=[O:43].[CH3:52][CH2:53][OH:54].[K+:51].[Na+:45].[OH-:44].[S:46](=[O:47])(=[O:48])([OH:49])[O-:50]>>[O:3]=[C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][C:14]([CH2:15][CH:16]1[CH2:17][CH2:18][N:19]([c:22]2[c:23]3[c:24]([n:25][c:26]([CH3:28])[cH:27]2)[n:29](-[c:33]2[c:34]([CH3:41])[cH:35][c:36]([Br:40])[cH:37][c:38]2[CH3:39])[cH:30][c:31]3[CH3:32])[CH2:20][CH2:21]1)=[O:42])[OH:43]Participants
7
Sources & evidence
- ORD record
- ord-5ee37df7c4e64bcab637ab5d8c739b8a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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