Dichloromethane → 4-[[3-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]pyrazol-1-yl]methyl]-N-(3-hydroxypropyl)benzamide

HRID 116970Notes

Reaction equation

HRID 116970 reaction equation
[CH2:56]([Cl:57])[Cl:58].[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:15][c:16]2[n:17][n:18]([CH2:21][c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]3)[cH:19][cH:20]2)[CH2:31][CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[Cl:37][C:38]([C:39]([Cl:40])=[O:41])=[O:42].[NH2:51][CH2:52][CH2:53][CH2:54][OH:55].[n:43]1[c:44]([CH3:45])[cH:46][cH:47][cH:48][c:49]1[CH3:50]>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:15][c:16]2[n:17][n:18]([CH2:21][c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:51][CH2:52][CH2:53][CH2:54][OH:55])[cH:29][cH:30]3)[cH:19][cH:20]2)[CH2:31][CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36]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 90863-Amino-1-propanolHCID 65578Oxalyl chlorideHCID 67189185HCID 67189185, compound

Product 1

HCID 671906594-[[3-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]pyrazol-1-yl]methyl]-N-(3-hydroxypropyl)benzamide

Sources & evidence

ORD record
ord-8de6ecf54f944cb789406bfb6256329d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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