3-Cyano-4-fluorobenzoic acid → 3-cyano-N-{(3RS,4SR)-4-(3,4-dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-4-fluoro-N-methyl-benzamide

HRID 207156Notes

Reaction equation

HRID 207156 reaction equation
[C:30](#[N:31])[c:32]1[cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39][c:40]1[F:41].[Cl:1][c:2]1[cH:3][c:4]([CH:9]2[CH2:10][N:11]([C:16](=[O:17])[CH:18]3[CH2:19][CH2:20][N:21]([C:24](=[O:25])[C:26]4([CH3:29])[CH2:27][CH2:28]4)[CH2:22][CH2:23]3)[CH2:12][CH:13]2[NH:14][CH3:15])[cH:5][cH:6][c:7]1[Cl:8]>>[Cl:1][c:2]1[cH:3][c:4]([CH:9]2[CH2:10][N:11]([C:16](=[O:17])[CH:18]3[CH2:19][CH2:20][N:21]([C:24](=[O:25])[C:26]4([CH3:29])[CH2:27][CH2:28]4)[CH2:22][CH2:23]3)[CH2:12][CH:13]2[N:14]([CH3:15])[C:35]([c:34]2[cH:33][c:32]([C:30]#[N:31])[c:40]([F:41])[cH:39][cH:38]2)=[O:37])[cH:5][cH:6][c:7]1[Cl:8]

Participants

3

Reactant 2

HCID 27739323-Cyano-4-fluorobenzoic acidHCID 67025815[(3SR,4RS)-3-(3,4-Dichloro-phenyl)-4-methylamino-pyrrolidin-1-yl]-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-yl]-methanone

Product 1

HCID 670256863-cyano-N-{(3RS,4SR)-4-(3,4-dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-4-fluoro-N-methyl-benzamide

Sources & evidence

ORD record
ord-7a1493fd7e1f4813b26edb3fdae92013
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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