Sodium ion → 1-(3-Hydroxyethoxy-benzoyl)-6,7-dimethoxy-isoquinoline-4-carbonitrile
Reaction equation
[Br:3][c:4]1[n:5][cH:6][c:7]([C:18]#[N:19])[c:8]2[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][c:13]12.[CH2:45]([Cl:46])[Cl:47].[CH3:33][n:34]1[cH:35][n+:36]([CH3:37])[cH:38][cH:39]1.[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[H-:1].[I-:32].[Na+:2].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:54].[OH:20][CH2:21][CH2:22][O:23][c:24]1[cH:25][c:26]([CH:27]=[O:28])[cH:29][cH:30][cH:31]1>>[c:4]1([C:27]([c:26]2[cH:25][c:24]([O:23][CH2:22][CH2:21][OH:20])[cH:31][cH:30][cH:29]2)=[O:28])[n:5][cH:6][c:7]([C:18]#[N:19])[c:8]2[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][c:13]12Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-a7ffd8fb76ac41d7ba35a8bdefb1da18
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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