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Bicarbonate Ion → 2-chloro-3-(1-cyanocyclopropyl)-N-(2,4-difluoro-5-hydroxyphenyl)benzamide

HRID 116887
Notes
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Reaction equation

HRID 116887 reaction equation
[C:31](=[O:32])([O-:33])[OH:34].[CH3:16][N:17]([CH3:18])[CH:19]=[O:20].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[C:11]1([C:14]#[N:15])[CH2:12][CH2:13]1.[Cl:36][C:37]([C:38]([Cl:39])=[O:40])=[O:41].[NH2:21][c:22]1[c:23]([F:30])[cH:24][c:25]([F:29])[c:26]([OH:28])[cH:27]1.[Na+:35].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:47]>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:21][c:22]2[c:23]([F:30])[cH:24][c:25]([F:29])[c:26]([OH:28])[cH:27]2)[cH:7][cH:8][cH:9][c:10]1[C:11]1([C:14]#[N:15])[CH2:12][CH2:13]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 65578Oxalyl chlorideHCID 27829995-Amino-2,4-difluorophenol
HCID 66810306
2-Chloro-3-(1-cyanocyclopropyl)benzoic acid

Product 1

HCID 684178522-chloro-3-(1-cyanocyclopropyl)-N-(2,4-difluoro-5-hydroxyphenyl)benzamide

Sources & evidence

ORD record
ord-32b936306aeb4924abfff1f6c1cd005b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes