Chloride → N-(5-chloro-2-pyrimidinyl)-4-(3-(3,5-dichlorophenyl)-4,4,4-trifluoro-2-butenoyl)benzoic acid amide

HRID 303363

Reaction equation

HRID 303363 reaction equation
[Cl-:9].[Cl:10][c:11]1[cH:12][c:13]([C:18](=[CH:19][C:20](=[O:21])[c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]2)[C:31]([F:32])([F:33])[F:34])[cH:14][c:15]([Cl:17])[cH:16]1.[NH2:1][c:2]1[n:3][cH:4][c:5]([Cl:8])[cH:6][n:7]1.[OH2:35].[cH:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1>>[NH:1]([c:2]1[n:3][cH:4][c:5]([Cl:8])[cH:6][n:7]1)[C:26]([c:25]1[cH:24][cH:23][c:22]([C:20]([CH:19]=[C:18]([c:13]2[cH:12][c:11]([Cl:10])[cH:16][c:15]([Cl:17])[cH:14]2)[C:31]([F:32])([F:33])[F:34])=[O:21])[cH:30][cH:29]1)=[O:27]

Participants

6

Reactant 5

HCID 312ChlorideHCID 962WaterHCID 1049PyridineHCID 794792-Pyrimidinamine, 5-chloro-HCID 667356584-(3-(3,5-Dichlorophenyl)-4,4,4-trifluoro-2-butenoyl)benzoic acid

Product 1

HCID 86626430N-(5-chloro-2-pyrimidinyl)-4-(3-(3,5-dichlorophenyl)-4,4,4-trifluoro-2-butenoyl)benzoic acid amide

Sources & evidence

ORD record
ord-563a8f170f1f4d99b2d8af0776c0cc62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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