Methanol → 4-[[[3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid

HRID 687465Notes

Reaction equation

HRID 687465 reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][NH:11][C:12](=[O:13])[CH:14]2[NH:15][CH:16]([CH2:37][C:38]([CH3:39])([CH3:40])[CH3:41])[C:17]([C:27]#[N:28])([c:29]3[c:30]([F:36])[cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[CH:18]2[c:19]2[c:20]([F:26])[c:21]([Cl:25])[cH:22][cH:23][cH:24]2)[cH:8][cH:9]1)=[O:42].[CH3:45][OH:46].[Na+:44].[OH-:43]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][NH:11][C:12](=[O:13])[CH:14]2[NH:15][CH:16]([CH2:37][C:38]([CH3:39])([CH3:40])[CH3:41])[C:17]([C:27]#[N:28])([c:29]3[c:30]([F:36])[cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[CH:18]2[c:19]2[c:20]([F:26])[c:21]([Cl:25])[cH:22][cH:23][cH:24]2)[cH:8][cH:9]1)[OH:42]

Participants

5

Reactant 4

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 72243997HCID 72243997, compound

Product 1

HCID 722439264-[[[3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid

Sources & evidence

ORD record
ord-fc2ffdffa7034760b2ccdaf170b5749c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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