Isopropanol → HCID 178497917, compound
Reaction equation
[CH2:27]([OH:28])[CH2:29][CH2:30][CH2:31][CH3:32].[CH3:12][O:13][C:14]([c:15]1[cH:16][c:17]([NH2:21])[cH:18][cH:19][cH:20]1)=[O:22].[CH:23]([OH:24])([CH3:25])[CH3:26].[Cl:1][c:2]1[n:3][c:4]([Cl:11])[c:5]2[nH:6][cH:7][n:8][c:9]2[n:10]1>>[Cl:1][c:2]1[n:3][c:4]([NH:21][c:17]2[cH:16][c:15]([C:14]([O:13][CH3:12])=[O:22])[cH:20][cH:19][cH:18]2)[c:5]2[n:6][cH:7][nH:8][c:9]2[n:10]1Participants
5
Sources & evidence
- ORD record
- ord-bb50675a155648dd9cfc6dc01c4379a3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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