Water → 1-Chloro-4-(5-isopropyl-2-methyl-phenoxymethyl)-3-methyl-isoquinoline
Reaction equation
[Cl:1][c:2]1[n:3][c:4]([CH3:14])[c:5]([CH2:12][Cl:13])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[O:27]=[CH:28][N:29]([CH3:30])[CH3:31].[OH2:26].[cH:15]1[c:16]([OH:17])[c:18]([CH3:19])[cH:20][cH:21][c:22]1[CH:23]([CH3:24])[CH3:25]>>[Cl:1][c:2]1[n:3][c:4]([CH3:14])[c:5]([CH2:12][O:17][c:16]2[cH:15][c:22]([CH:23]([CH3:24])[CH3:25])[cH:21][cH:20][c:18]2[CH3:19])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12Participants
5
Sources & evidence
- ORD record
- ord-60ef93b578d545a5ae18250e6d3514a0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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