Acetate → 1-(4-chloro-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid [1-(5-methanesulfonylamino-pyridin-3-yl)-butyl]-amide

HRID 1144378Notes

Reaction equation

HRID 1144378 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][CH2:10][CH3:11])[NH:12][C:13](=[O:14])[c:15]2[cH:16][n:17][n:18](-[c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[c:19]2[CH3:20])[cH:5][n:6][cH:7]1.[C:33]([O-:34])(=[O:35])[CH3:36].[C:41](=[O:42])([OH:43])[O-:44].[CH3:28][S:29](=[O:30])(=[O:31])[NH2:32].[CH3:46][S:47]([CH3:48])=[O:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl-:38].[Cs+:37].[Cu:56][I:57].[NH4+:39].[Na+:45].[Na:40]>>[c:2]1([NH:32][S:29]([CH3:28])(=[O:30])=[O:31])[cH:3][c:4]([CH:8]([CH2:9][CH2:10][CH3:11])[NH:12][C:13](=[O:14])[c:15]2[cH:16][n:17][n:18](-[c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[c:19]2[CH3:20])[cH:5][n:6][cH:7]1

Participants

13

Reactant 12

HCID 175AcetateHCID 223AmmoniumHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 72879MethanesulfonamideHCID 104967Cesium cationHCID 5360545SodiumHCID 444805971-(4-Chloro-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid [1-(5-bromo-pyridin-3-yl)-butyl]-amide

Product 1

HCID 444805991-(4-chloro-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid [1-(5-methanesulfonylamino-pyridin-3-yl)-butyl]-amide

Sources & evidence

ORD record
ord-8c6813e5f76d401db2df01c2b0abda03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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