Bicarbonate Ion → N-[4-chloro-2-methyl-6-[(1-oxothietan-3-yl)carbamoyl]phenyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide

HRID 1566364Notes

Reaction equation

HRID 1566364 reaction equation
[Cl:1][c:2]1[cH:3][c:4]([CH3:34])[c:5]([NH:15][C:16](=[O:17])[c:18]2[n:19](-[c:27]3[n:28][cH:29][cH:30][cH:31][c:32]3[Cl:33])[n:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[c:6]([C:8]([NH:9][CH:10]2[CH2:11][S:12][CH2:13]2)=[O:14])[cH:7]1.[Cl:35][c:36]1[cH:37][cH:38][cH:39][c:40]([C:41]([O:42][OH:44])=[O:43])[cH:45]1.[Cl:51][CH2:52][Cl:53].[Na+:50].[O-:46][C:47]([OH:48])=[O:49]>>[Cl:1][c:2]1[cH:3][c:4]([CH3:34])[c:5]([NH:15][C:16](=[O:17])[c:18]2[n:19](-[c:27]3[n:28][cH:29][cH:30][cH:31][c:32]3[Cl:33])[n:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[c:6]([C:8]([NH:9][CH:10]2[CH2:11][S:12](=[O:43])[CH2:13]2)=[O:14])[cH:7]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 593935962-(3-chloro-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [4-chloro-2-methyl-6-(thietan-3-ylcarbamoyl)-phenyl]-amide

Product 1

HCID 59393575N-[4-chloro-2-methyl-6-[(1-oxothietan-3-yl)carbamoyl]phenyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Sources & evidence

ORD record
ord-e9b9a58f1f9946ea9688374fdd1ba867
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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