Ethanol → HCID 21890432, compound
Reaction equation
[CH3:15][O:16][c:17]1[cH:18][c:19]2[c:20]([O:29][c:30]3[c:31]([CH3:37])[cH:32][c:33]([NH2:34])[cH:35][cH:36]3)[cH:21][cH:22][n:23][c:24]2[cH:25][c:26]1[O:27][CH3:28].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:45][CH2:46][OH:47].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:10](=[O:11])[N:12]=[C:13]=[S:14])[cH:8][cH:9]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:10](=[O:11])[NH:12][C:13](=[S:14])[NH:34][c:33]2[cH:32][c:31]([CH3:37])[c:30]([O:29][c:20]3[c:19]4[cH:18][c:17]([O:16][CH3:15])[c:26]([O:27][CH3:28])[cH:25][c:24]4[n:23][cH:22][cH:21]3)[cH:36][cH:35]2)[cH:8][cH:9]1Participants
5
Sources & evidence
- ORD record
- ord-56cdcd17d0c64c0d9be464b696984bbd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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