Ammonium → 1-Cyano-4-hydroxy-6-(4-propoxy-phenoxy)-isoquinoline-3-carboxylic acid butyl ester
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([Br:30])[c:11]2[cH:12][cH:13][c:14]([O:19][c:20]3[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][CH3:29])[cH:24][cH:25]3)[cH:15][c:16]2[c:17]1[OH:18].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[ClH:36].[Cu:31][C:32]#[N:33].[NH4+:34].[OH-:35]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([C:32]#[N:33])[c:11]2[cH:12][cH:13][c:14]([O:19][c:20]3[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][CH3:29])[cH:24][cH:25]3)[cH:15][c:16]2[c:17]1[OH:18]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-e26fef89daea4595895de9bd54f64978
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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