Water → [2-(2-Fluoro-4-trifluoromethyl-phenyl)-ethyl]-[2-methoxy-6-(3-oxiranylmethoxy-phenyl)-pyrimidin-4-yl]-amine

HRID 188083

Reaction equation

HRID 188083 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[Cl:36][CH2:37][CH:38]1[CH2:39][O:40]1.[Cs+:34].[Cs+:35].[F:1][c:2]1[c:3]([CH2:12][CH2:13][NH:14][c:15]2[cH:16][c:17](-[c:23]3[cH:24][c:25]([OH:29])[cH:26][cH:27][cH:28]3)[n:18][c:19]([O:21][CH3:22])[n:20]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46]>>[F:1][c:2]1[c:3]([CH2:12][CH2:13][NH:14][c:15]2[cH:16][c:17](-[c:23]3[cH:24][c:25]([O:29][CH2:37][CH:38]4[CH2:39][O:40]4)[cH:26][cH:27][cH:28]3)[n:18][c:19]([O:21][CH3:22])[n:20]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 7835EpichlorohydrinHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 690695663-{6-[2-(2-Fluoro-4-trifluoromethyl-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenol

Product 1

HCID 11705324[2-(2-Fluoro-4-trifluoromethyl-phenyl)-ethyl]-[2-methoxy-6-(3-oxiranylmethoxy-phenyl)-pyrimidin-4-yl]-amine

Sources & evidence

ORD record
ord-4b927c0d404943de86cd4efed269d6a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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