Water → 2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline

HRID 100185

Reaction equation

HRID 100185 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[Cs+:40].[Cs+:41].[F:30][C:31]([CH2:32][I:33])([F:34])[F:35].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:47].[n:1]1[cH:2][cH:3][c:4](-[c:7]2[c:8](-[c:12]3[cH:13][cH:14][c:15]([O:16][CH2:17][c:18]4[n:19][c:20]5[cH:21][cH:22][cH:23][cH:24][c:25]5[cH:26][cH:27]4)[cH:28][cH:29]3)[nH:9][n:10][cH:11]2)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4](-[c:7]2[c:8](-[c:12]3[cH:13][cH:14][c:15]([O:16][CH2:17][c:18]4[n:19][c:20]5[cH:21][cH:22][cH:23][cH:24][c:25]5[cH:26][cH:27]4)[cH:28][cH:29]3)[n:9][n:10]([CH2:32][C:31]([F:30])([F:34])[F:35])[cH:11]2)[cH:5][cH:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 677091,1,1-Trifluoro-2-iodoethaneHCID 104967Cesium cation2×HCID 116105532-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline

Product 1

HCID 116482762-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline

Sources & evidence

ORD record
ord-0cdc64e2fca04837a6cde22e56d98b97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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