Ethanol → HCID 22466682, compound
Reaction equation
[CH3:28][CH2:29][OH:30].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([NH:10][c:11]2[c:12]([C:24]#[N:25])[cH:13][n:14][c:15]3[cH:16][cH:17][c:18]([N+:21]([O-:22])=[O:23])[cH:19][c:20]23)[cH:7][cH:8][cH:9]1.[NH2:26][NH2:27]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([NH:10][c:11]2[c:12]([C:24]#[N:25])[cH:13][n:14][c:15]3[cH:16][cH:17][c:18]([NH2:21])[cH:19][c:20]23)[cH:7][cH:8][cH:9]1Participants
4
Sources & evidence
- ORD record
- ord-56af34c2bb054375bc83a2d69b2cf1d0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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