Ammonium → 1-Cyano-4,7-dihydroxy-isoquinoline-3-carboxylic acid ethyl ester
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]([C:25]#[N:26])[c:9]2[cH:10][c:11]([O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:12][cH:13][c:14]2[c:15]1[OH:16].[CH3:31][CH2:32][O:33][C:34]([CH3:35])=[O:36].[CH3:37][CH2:38][OH:39].[CH:27]([O-:28])=[O:29].[NH4+:30]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]([C:25]#[N:26])[c:9]2[cH:10][c:11]([OH:17])[cH:12][cH:13][c:14]2[c:15]1[OH:16]Participants
6
Sources & evidence
- ORD record
- ord-c48dd6b34f2542beb83b5a6dace56a42
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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