Ethanol → 1-Chloro-4-hydroxy-isoquinoline-3-carboxylic acid (2-acetylamino-ethyl)-amide
Reaction equation
[CH2:1]([O:2][C:6](=[O:7])[c:8]1[n:9][c:10]([Cl:19])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]1[OH:18])[CH2:3][CH2:4][CH3:5].[CH3:27][CH2:28][OH:29].[NH2:20][CH2:21][CH2:22][NH:23][C:24]([CH3:25])=[O:26]>>[C:6](=[O:7])([c:8]1[n:9][c:10]([Cl:19])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]1[OH:18])[NH:20][CH2:21][CH2:22][NH:23][C:24]([CH3:25])=[O:26]Participants
4
Sources & evidence
- ORD record
- ord-ac815471bf294ce2a82e5e1d9aa31f11
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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