Dichloromethane → N-[1-[(3-aminophenyl)methyl]pyrazol-3-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide

HRID 2320167Notes

Reaction equation

HRID 2320167 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[cH:9][c:10]([CH2:14][n:15]2[n:16][c:17]([NH:20][C:21]([CH:22]([CH2:23][CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28]3)[c:29]3[cH:30][c:31]([Cl:39])[c:32]([S:35](=[O:36])(=[O:37])[CH3:38])[cH:33][cH:34]3)=[O:40])[cH:18][cH:19]2)[cH:11][cH:12][cH:13]1)([CH3:5])([CH3:6])[CH3:41].[CH2:49]([Cl:50])[Cl:51].[OH:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48]>>[NH2:7][c:8]1[cH:9][c:10]([CH2:14][n:15]2[n:16][c:17]([NH:20][C:21]([CH:22]([CH2:23][CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28]3)[c:29]3[cH:30][c:31]([Cl:39])[c:32]([S:35](=[O:36])(=[O:37])[CH3:38])[cH:33][cH:34]3)=[O:40])[cH:18][cH:19]2)[cH:11][cH:12][cH:13]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 67190450tert-butyl N-[3-[[3-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]pyrazol-1-yl]methyl]phenyl]carbamate

Product 1

HCID 67190248N-[1-[(3-aminophenyl)methyl]pyrazol-3-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide

Sources & evidence

ORD record
ord-61bd2ef41ea44b31bc45ea8deef08b50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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