Ethanol → HCID 13563418, compound
Reaction equation
[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH3:11])[CH:6]([c:12]2[cH:13][c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]2)[C:5]([C:21](=[O:22])[O:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][N:32]2[C:33](=[O:34])[c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]3[C:41]2=[O:42])=[C:4]([CH3:43])[NH:3]1.[CH3:47][CH2:48][OH:49].[NH2:45][NH2:46].[OH2:44]>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH3:11])[CH:6]([c:12]2[cH:13][c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]2)[C:5]([C:21](=[O:22])[O:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][NH2:32])=[C:4]([CH3:43])[NH:3]1Participants
5
Sources & evidence
- ORD record
- ord-51b723d14976488db35dd6a7b3fb6490
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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