Ethanol → HCID 56597689, compound
Reaction equation
[CH3:33][CH2:34][OH:35].[NH:1]1[CH2:2][CH:3]([O:5][c:6]2[c:7]([CH3:16])[cH:8][c:9]([CH2:12][N:13]([CH3:14])[CH3:15])[cH:10][cH:11]2)[CH2:4]1.[c:17]1(-[c:23]2[n:24][n:25][c:26]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[o:27]2)[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[N:1]1([C:28]([c:26]2[n:25][n:24][c:23](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[o:27]2)=[O:29])[CH2:2][CH:3]([O:5][c:6]2[c:7]([CH3:16])[cH:8][c:9]([CH2:12][N:13]([CH3:14])[CH3:15])[cH:10][cH:11]2)[CH2:4]1Participants
4
Sources & evidence
- ORD record
- ord-3d1dfa2dbac042b3afa9612e6c0a39d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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