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Methanol → 3-[4-[[(4-Chlorophenyl)sulfonyl-(5,5-dimethyl-2-oxoazepan-3-yl)amino]methyl]phenyl]propanoic acid

HRID 2145455
Notes
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Reaction equation

HRID 2145455 reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][N:13]([CH:14]2[C:15](=[O:23])[NH:16][CH2:17][CH2:18][C:19]([CH3:21])([CH3:22])[CH2:20]2)[S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[cH:10][cH:11]1)=[O:34].[CH3:37][OH:38].[Na+:36].[OH-:35].[OH2:39]>>[O:2]=[C:3]([CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][N:13]([CH:14]2[C:15](=[O:23])[NH:16][CH2:17][CH2:18][C:19]([CH3:21])([CH3:22])[CH2:20]2)[S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[cH:10][cH:11]1)[OH:34]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 69489815Methyl 3-[4-[[(4-chlorophenyl)sulfonyl-(5,5-dimethyl-2-oxoazepan-3-yl)amino]methyl]phenyl]propanoate

Product 1

HCID 69490867
3-[4-[[(4-Chlorophenyl)sulfonyl-(5,5-dimethyl-2-oxoazepan-3-yl)amino]methyl]phenyl]propanoic acid

Sources & evidence

ORD record
ord-7870c038ae614f6dbcdff084db4faf43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes