Ethanol → HCID 59322388, compound
Reaction equation
[CH3:45][CH2:46][OH:47].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)=[C:8]1[C:9](=[O:44])[NH:10][c:11]2[n:12][cH:13][n:14][c:15]([N:17]3[CH2:18][CH2:19][CH:20]([c:23]4[n:24]([CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[cH:25][c:26](-[c:28]5[cH:29][c:30]([C:35]([F:36])([F:37])[F:38])[c:31]([F:34])[cH:32][cH:33]5)[n:27]4)[CH2:21][CH2:22]3)[c:16]21>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[C:9](=[O:44])[NH:10][c:11]2[n:12][cH:13][n:14][c:15]([N:17]3[CH2:18][CH2:19][CH:20]([c:23]4[n:24]([CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[cH:25][c:26](-[c:28]5[cH:29][c:30]([C:35]([F:36])([F:37])[F:38])[c:31]([F:34])[cH:32][cH:33]5)[n:27]4)[CH2:21][CH2:22]3)[c:16]21Participants
3
Sources & evidence
- ORD record
- ord-5828267129374cf390e5ec76b230ca49
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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