Dichloromethane → Methyl 4-[1-[3-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]pyrazol-1-yl]butyl]benzoate

HRID 2310100Notes

Reaction equation

HRID 2310100 reaction equation
[CH2:62]([Cl:63])[Cl:64].[CH3:42][O:43][C:44]([c:45]1[cH:46][cH:47][c:48]([CH:51]([CH2:52][CH2:53][CH3:54])[n:55]2[n:56][c:57]([NH2:60])[cH:58][cH:59]2)[cH:49][cH:50]1)=[O:61].[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:15][c:16]2[cH:17][cH:18][n:19]([CH3:20])[n:21]2)[CH2:22][CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[Cl:28][C:29]([C:30]([Cl:31])=[O:32])=[O:33].[n:34]1[c:35]([CH3:36])[cH:37][cH:38][cH:39][c:40]1[CH3:41]>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:60][c:57]2[n:56][n:55]([CH:51]([c:48]3[cH:47][cH:46][c:45]([C:44]([O:43][CH3:42])=[O:61])[cH:50][cH:49]3)[CH2:52][CH2:53][CH3:54])[cH:59][cH:58]2)[CH2:22][CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 79372,6-LutidineHCID 65578Oxalyl chlorideHCID 671891404-[1-(3-Amino-pyrazol-1-yl)-butyl]-benzoic acid methyl esterHCID 671896922-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide

Product 1

HCID 67189099Methyl 4-[1-[3-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]pyrazol-1-yl]butyl]benzoate

Sources & evidence

ORD record
ord-7a509d2d80364929a272c11e6644e872
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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