Benzene → 2-(2-chloropropyl)-4-phenyl-1(2H)-isoquinolone
Reaction equation
[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[OH2:39].[OH:5][CH:6]([CH2:7][n:8]1[c:9](=[O:24])[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2[c:16](-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:17]1)[CH3:25].[S:1]([Cl:2])([Cl:3])=[O:4].[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[Cl:3][CH:6]([CH2:7][n:8]1[c:9](=[O:24])[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2[c:16](-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:17]1)[CH3:25]Participants
6
Sources & evidence
- ORD record
- ord-59f8e377afaf4d0bb7f2124364adc140
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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