5-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid → [5-methylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

HRID 297394

Reaction equation

HRID 297394 reaction equation
[CH3:15][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][c:22]([O:28][CH:29]([C:30]([F:31])([F:32])[F:33])[CH3:34])[c:23]([C:24](=[O:25])[OH:26])[cH:27]1.[F:1][C:2]([c:3]1[n:4][cH:5][c:6]2[c:7]([n:8]1)[CH2:9][CH2:10][NH:11][CH2:12]2)([F:13])[F:14]>>[F:1][C:2]([c:3]1[n:4][cH:5][c:6]2[c:7]([n:8]1)[CH2:9][CH2:10][N:11]([C:24]([c:23]1[c:22]([O:28][CH:29]([C:30]([F:31])([F:32])[F:33])[CH3:34])[cH:21][cH:20][c:19]([S:16]([CH3:15])(=[O:17])=[O:18])[cH:27]1)=[O:25])[CH2:12]2)([F:13])[F:14]

Participants

3

Reactant 2

HCID 211003065-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acidHCID 534714832-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine

Product 1

HCID 72389659[5-methylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

Sources & evidence

ORD record
ord-55c4cc5ff0b64b078190a2a3a145b392
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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