Ethanol → HCID 21959666, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]2[CH2:16][C:17]([CH3:27])([CH3:28])[c:18]3[cH:19][cH:20][c:21]([N+:24]([O-:25])=[O:26])[cH:22][c:23]32)[CH2:12][CH2:13]1.[CH3:29][CH2:30][OH:31]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]2[CH2:16][C:17]([CH3:27])([CH3:28])[c:18]3[cH:19][cH:20][c:21]([NH2:24])[cH:22][c:23]32)[CH2:12][CH2:13]1Participants
3
Sources & evidence
- ORD record
- ord-8ebc3b29b51e4cf1a62ec2cd7f6cfb88
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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