Ethanol → Isoquinoline, 7-(chloromethyl)-
Reaction equation
[Al+3:17].[CH2:1]([O:2][C:4](=[O:3])[c:6]1[cH:7][cH:8][c:9]2[cH:10][cH:11][n:12][cH:13][c:14]2[cH:15]1)[CH3:5].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:29][S:30]([Cl:31])(=[O:32])=[O:33].[CH3:34][CH2:35][OH:36].[Cl:37][CH2:38][Cl:39].[H-:16].[H-:19].[H-:20].[H-:21].[Li+:18].[OH2:40]>>[CH2:4]([c:6]1[cH:7][cH:8][c:9]2[cH:10][cH:11][n:12][cH:13][c:14]2[cH:15]1)[Cl:31]Participants
10
Sources & evidence
- ORD record
- ord-fcf054a2ee824429bb3fca22df404d53
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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