Ethanol → HCID 178511895, compound
Reaction equation
[CH3:31][CH2:32][OH:33].[IH:21].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:20]1)[O:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][N:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1.[Na+:38].[O-:34][C:35]([OH:36])=[O:37].[s:22]1[c:23]([C:27](=[NH:28])[S:29][CH3:30])[cH:24][cH:25][cH:26]1>>[NH:1]([c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:20]1)[O:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][N:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[C:27]([c:23]1[s:22][cH:26][cH:25][cH:24]1)=[NH:28]Participants
7
Sources & evidence
- ORD record
- ord-3c9977671a664b69aa701ceec6a32376
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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