Bicarbonate Ion → 1-Chloro-5-(1,4-diazepane-1-sulfonyl)isoquinoline
Reaction equation
[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[Cl:32][CH2:33][Cl:34].[Cl:5][c:6]1[n:7][cH:8][cH:9][c:10]2[c:11]([S:16](=[O:17])(=[O:18])[OH:19])[cH:12][cH:13][cH:14][c:15]12.[NH:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30][CH2:31]1.[Na+:20].[OH2:35].[OH:21][C:22](=[O:23])[O-:24].[S:1]([Cl:2])([Cl:3])=[O:4]>>[Cl:5][c:6]1[n:7][cH:8][cH:9][c:10]2[c:11]([S:16](=[O:18])(=[O:19])[N:25]3[CH2:26][CH2:27][NH:28][CH2:29][CH2:30][CH2:31]3)[cH:12][cH:13][cH:14][c:15]12Participants
9
Sources & evidence
- ORD record
- ord-470cf6a77a804153b5315b10b41196f5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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