Ethanol → HCID 23359374, compound
Reaction equation
[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH2:12][O:13][CH2:14][CH2:15][NH2:16])[CH:6]([c:17]2[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]2)[C:5]([C:26](=[O:27])[O:28][CH3:29])=[C:4]([CH3:30])[NH:3]1.[CH3:42][CH2:43][OH:44].[c:31]1([O:37][CH2:38][CH:39]2[CH2:40][O:41]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH2:12][O:13][CH2:14][CH2:15][NH:16][CH2:40][CH:39]([CH2:38][O:37][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[OH:41])[CH:6]([c:17]2[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]2)[C:5]([C:26](=[O:27])[O:28][CH3:29])=[C:4]([CH3:30])[NH:3]1Participants
4
Sources & evidence
- ORD record
- ord-8b5d6d0e2c2e4cdbb0270cea1f24bca2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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