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Bicarbonate Ion → 1-(1-Chloro-5-isoquinolinesulfonyl)homopiperazine

HRID 2346398
Notes
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Reaction equation

HRID 2346398 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]12
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 24386Thionyl ChlorideHCID 68163Hexahydro-1,4-diazepineHCID 137300201-Chloroisoquinoline-5-sulfonic acid

Sources & evidence

ORD record
ord-470cf6a77a804153b5315b10b41196f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes

Product 1

HCID 223931531-(1-Chloro-5-isoquinolinesulfonyl)homopiperazine