Ethanol → HCID 178486012, compound
Reaction equation
[CH3:29][N:30]([C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH:38]1[CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][CH2:51][OH:52].[N+:1]([c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][c:14]2[n:15][c:16]([NH2:28])[n:17][c:18]3[c:23]2[CH2:22][CH2:21][CH:20]2[CH:19]3[CH2:27][CH2:26][CH2:25][CH2:24]2)(=[O:8])=[O:9])[cH:10][cH:11]1)([O-:12])=[O:13]>>[c:14]1([N:40]2[CH2:39][CH:38]([N:30]([CH3:29])[C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:42][CH2:41]2)[n:15][c:16]([NH2:28])[n:17][c:18]2[c:23]1[CH2:22][CH2:21][CH:20]1[CH:19]2[CH2:27][CH2:26][CH2:25][CH2:24]1Participants
5
Sources & evidence
- ORD record
- ord-ca459996342846dcbdeaa47f12360a97
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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