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Methanol → 4-[[(4-Chlorophenyl)sulfonyl-(5,5-difluoro-2-oxoazepan-3-yl)amino]methyl]-3-fluorobenzoic acid

HRID 290219
Notes
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Reaction equation

HRID 290219 reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([F:32])[c:7]([CH2:10][N:11]([CH:12]2[C:13](=[O:21])[NH:14][CH2:15][CH2:16][C:17]([F:19])([F:20])[CH2:18]2)[S:22](=[O:23])(=[O:24])[c:25]2[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]2)[cH:8][cH:9]1)=[O:33].[CH3:41][OH:42].[Na+:35].[OH-:34]>>[O:2]=[C:3]([c:4]1[cH:5][c:6]([F:32])[c:7]([CH2:10][N:11]([CH:12]2[C:13](=[O:21])[NH:14][CH2:15][CH2:16][C:17]([F:19])([F:20])[CH2:18]2)[S:22](=[O:23])(=[O:24])[c:25]2[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]2)[cH:8][cH:9]1)[OH:33]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 68623347Methyl 4-[[(4-chlorophenyl)sulfonyl-(5,5-difluoro-2-oxoazepan-3-yl)amino]methyl]-3-fluorobenzoate

Product 1

HCID 68624341
4-[[(4-Chlorophenyl)sulfonyl-(5,5-difluoro-2-oxoazepan-3-yl)amino]methyl]-3-fluorobenzoic acid

Sources & evidence

ORD record
ord-d71abc1dd3814d74a715bb724ffecd34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes