Acetic Acid → Ethyl 1-[6-(2-{[4-(4-oxocyclohexyl)benzyl]oxy}phenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

HRID 286617Notes

Reaction equation

HRID 286617 reaction equation
[CH3:45][C:46](=[O:47])[OH:48].[O:1]1[CH2:3][CH2:2][O:4][C:5]12[CH2:6][CH2:7][CH:8]([c:11]1[cH:12][cH:13][c:14]([CH2:15][O:16][c:17]3[c:18](-[c:23]4[cH:24][cH:25][cH:26][c:27](-[n:29]5[n:30][cH:31][c:32]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[c:33]5[C:34]([F:35])([F:36])[F:37])[n:28]4)[cH:19][cH:20][cH:21][cH:22]3)[cH:43][cH:44]1)[CH2:9][CH2:10]2.[OH2:49]>>[O:4]=[C:5]1[CH2:6][CH2:7][CH:8]([c:11]2[cH:12][cH:13][c:14]([CH2:15][O:16][c:17]3[c:18](-[c:23]4[cH:24][cH:25][cH:26][c:27](-[n:29]5[n:30][cH:31][c:32]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[c:33]5[C:34]([F:35])([F:36])[F:37])[n:28]4)[cH:19][cH:20][cH:21][cH:22]3)[cH:43][cH:44]2)[CH2:9][CH2:10]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 67159196Ethyl 1-[6-(2-{[4-(1,4-dioxaspiro[4.5]dec-8-yl)benzyl]oxy}phenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Product 1

HCID 67159542Ethyl 1-[6-(2-{[4-(4-oxocyclohexyl)benzyl]oxy}phenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Sources & evidence

ORD record
ord-43eff9cbd87744fb80f4d09a43106739
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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