Hydrochloric Acid → 3-(2,6-dichlorophenyl)-7-(4-fluoroanilino)-3,4-dihydro-1-methylpyrimido[4,5-d]-pyrimidin-2(1H)-one

HRID 93428Notes

Reaction equation

HRID 93428 reaction equation
[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[Cl:1][c:2]1[c:3]([N:9]2[C:10](=[O:24])[N:11]([CH3:23])[c:12]3[n:13][c:14]([S:19]([CH3:20])(=[O:21])=[O:22])[n:15][cH:16][c:17]3[CH2:18]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[ClH:33].[NH2:25][c:26]1[cH:27][cH:28][c:29]([F:30])[cH:31][cH:32]1>>[Cl:1][c:2]1[c:3]([N:9]2[C:10](=[O:24])[N:11]([CH3:23])[c:12]3[n:13][c:14]([NH:25][c:26]4[cH:27][cH:28][c:29]([F:30])[cH:31][cH:32]4)[n:15][cH:16][c:17]3[CH2:18]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 97314-FluoroanilineHCID 184254443-(2,6-dichlorophenyl)-7-methanesulfonyl-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

Product 1

HCID 221251263-(2,6-dichlorophenyl)-7-(4-fluoroanilino)-3,4-dihydro-1-methylpyrimido[4,5-d]-pyrimidin-2(1H)-one

Sources & evidence

ORD record
ord-e194655fea9343048e9b7b4acca95334
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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