Dichloromethane → 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2-methylpiperazin-1-yl)methyl]-3,4-dihydroquinazolin-2(1H)-one

HRID 2322817Notes

Reaction equation

HRID 2322817 reaction equation
[CH2:49]([Cl:50])[Cl:51].[Cl:1][c:2]1[c:3](-[c:8]2[c:9]3[c:14]([cH:15][c:16]([CH2:18][N:19]4[CH:20]([CH3:32])[CH2:21][N:22]([C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH2:23][CH2:24]4)[cH:17]2)[N:13]([c:33]2[c:34]([Cl:40])[cH:35][cH:36][cH:37][c:38]2[Cl:39])[C:12](=[O:41])[NH:11][CH2:10]3)[cH:4][cH:5][cH:6][cH:7]1.[OH:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48]>>[Cl:1][c:2]1[c:3](-[c:8]2[c:9]3[c:14]([cH:15][c:16]([CH2:18][N:19]4[CH:20]([CH3:32])[CH2:21][NH:22][CH2:23][CH2:24]4)[cH:17]2)[N:13]([c:33]2[c:34]([Cl:40])[cH:35][cH:36][cH:37][c:38]2[Cl:39])[C:12](=[O:41])[NH:11][CH2:10]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 22648157Tert-butyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}-3-methylpiperazine-1-carboxylate

Product 1

HCID 101647505-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2-methylpiperazin-1-yl)methyl]-3,4-dihydroquinazolin-2(1H)-one

Sources & evidence

ORD record
ord-a64de9d38e574afb95f94d6c9333f896
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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