Water → 4-Chloro-8-(2,4-dimethoxybenzyl)-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one

HRID 196729Notes

Reaction equation

HRID 196729 reaction equation
[CH3:19][O:20][c:21]1[cH:22][c:23]([O:24][CH3:25])[cH:26][cH:27][c:28]1[CH2:29][NH2:30].[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[Cl:1][c:2]1[c:3]([CH:4]([C:5]([F:6])([F:7])[F:8])[CH2:9][C:10]([O:11][CH3:12])=[O:13])[c:14]([Cl:15])[n:16][cH:17][n:18]1.[Cl:36][c:37]1[n:38][cH:39][n:40][c:41]([NH:53][CH2:54][c:55]2[c:56]([O:63][CH3:64])[cH:57][c:58]([O:61][CH3:62])[cH:59][cH:60]2)[c:42]1[CH:43]([CH2:44][C:45]([O:47][CH3:46])=[O:48])[C:49]([F:50])([F:51])[F:52].[OH2:65]>>[Cl:36][c:37]1[n:38][cH:39][n:40][c:41]2[c:42]1[CH:43]([C:49]([F:50])([F:51])[F:52])[CH2:44][C:45](=[O:47])[N:53]2[CH2:54][c:55]1[c:56]([O:63][CH3:64])[cH:57][c:58]([O:61][CH3:62])[cH:59][cH:60]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 5972502,4-DimethoxybenzylamineHCID 86666569Methyl 3-(4,6-dichloropyrimidin-5-yl)-4,4,4-trifluorobutanoateHCID 86666570Methyl 3-(4-chloro-6-(2,4-dimethoxybenzylamino)pyrimidin-5-yl)-4,4,4-trifluorobutanoate

Product 1

HCID 866665684-Chloro-8-(2,4-dimethoxybenzyl)-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one

Sources & evidence

ORD record
ord-ea45ea6d58344be0a4e048de5fe60790
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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