Ethanol → HCID 448379, compound
Reaction equation
[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]1[n:10][c:11]([NH:17][C:18](=[O:19])[c:20]2[n:21]([CH3:37])[cH:22][c:23]([NH:25][C:26](=[O:27])[c:28]3[n:29]([CH3:36])[cH:30][c:31]([N+:33]([O-:34])=[O:35])[cH:32]3)[cH:24]2)[s:12][c:13]1[CH:14]([CH3:15])[CH3:16])[CH3:38].[CH3:39][CH2:40][OH:41]>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]1[n:10][c:11]([NH:17][C:18](=[O:19])[c:20]2[n:21]([CH3:37])[cH:22][c:23]([NH:25][C:26](=[O:27])[c:28]3[n:29]([CH3:36])[cH:30][c:31]([NH:33][CH:40]=[O:41])[cH:32]3)[cH:24]2)[s:12][c:13]1[CH:14]([CH3:15])[CH3:16])[CH3:38]Participants
3
Sources & evidence
- ORD record
- ord-cee97c0667d24e488be8cd3580abe59e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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