Chloride → 4-(3-(3,5-Dichlorophenyl)-4,4,4-trifluoro-2-butenoyl)-N-(2-pyridylmethyl)benzoic acid amide

HRID 2159791

Reaction equation

HRID 2159791 reaction equation
[CH2:35]([N:36]([CH2:37][CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46])[CH3:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[Cl-:34].[Cl:1][c:2]1[cH:3][c:4]([C:9](=[CH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]2)[C:22]([F:23])([F:24])[F:25])[cH:5][c:6]([Cl:8])[cH:7]1.[c:26]1([CH2:32][NH2:33])[cH:27][cH:28][cH:29][cH:30][n:31]1>>[Cl:1][c:2]1[cH:3][c:4]([C:9](=[CH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:33][CH2:32][c:26]3[cH:27][cH:28][cH:29][cH:30][n:31]3)[cH:20][cH:21]2)[C:22]([F:23])([F:24])[F:25])[cH:5][c:6]([Cl:8])[cH:7]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 195092-PyridinemethanamineHCID 99645131-Ethyl-3-(3-diethylaminopropyl)carbodiimideHCID 667356584-(3-(3,5-Dichlorophenyl)-4,4,4-trifluoro-2-butenoyl)benzoic acid

Product 1

HCID 667353614-(3-(3,5-Dichlorophenyl)-4,4,4-trifluoro-2-butenoyl)-N-(2-pyridylmethyl)benzoic acid amide

Sources & evidence

ORD record
ord-860ab03aca7e4e77a619e7041e3939c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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