Dichloromethane → 4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-(2,2,2-trifluoroethyl)-1-naphthalenecarboxamide

HRID 1114281Notes

Reaction equation

HRID 1114281 reaction equation
[CH2:32]([P:33]([OH:34])([OH:35])=[O:36])[CH2:37][CH3:38].[CH3:45][N:46]([CH3:47])[c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1.[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:28]([F:29])([F:30])[F:31])[CH2:10][C:11]([c:14]3[cH:15][cH:16][c:17]([C:24]([O:26][CH3:25])=[O:27])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[Cl:54][CH2:55][Cl:56].[F:39][C:40]([CH2:41][NH2:42])([F:43])[F:44]>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:28]([F:29])([F:30])[F:31])[CH2:10][C:11]([c:14]3[cH:15][cH:16][c:17]([C:24](=[O:26])[NH:42][CH2:41][C:40]([F:39])([F:43])[F:44])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 9773Ethanamine, 2,2,2-trifluoro-HCID 142844-(Dimethylamino)pyridineHCID 204484Propylphosphonic acidHCID 58338637Methyl 4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-1-naphthalenecarboxylate

Product 1

HCID 162202114-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-(2,2,2-trifluoroethyl)-1-naphthalenecarboxamide

Sources & evidence

ORD record
ord-a8ff72dd2db14d4d85e121067b7eec76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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