Water → Tert-butyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}piperazine-2-carboxylate

HRID 2333188Notes

Reaction equation

HRID 2333188 reaction equation
[Cl:1][c:2]1[c:3](-[c:8]2[c:9]3[c:14]([cH:15][c:16]([CH2:18][N:19]4[CH2:20][CH:21]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[N:22]([CH:25]([CH3:26])[CH3:27])[CH2:23][CH2:24]4)[cH:17]2)[N:13]([c:35]2[c:36]([Cl:42])[cH:37][cH:38][cH:39][c:40]2[Cl:41])[C:12](=[O:43])[NH:11][CH2:10]3)[cH:4][cH:5][cH:6][cH:7]1.[OH2:44].[OH:45][C:46]([C:47]([F:48])([F:49])[F:50])=[O: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[CH2:20][CH:21]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[NH:22][CH2:23][CH2:24]4)[cH:17]2)[N:13]([c:35]2[c:36]([Cl:42])[cH:37][cH:38][cH:39][c:40]2[Cl:41])[C:12](=[O:43])[NH:11][CH2:10]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 10233169Tert-butyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}-1-isopropylpiperazine-2-carboxylate

Product 1

HCID 22648143Tert-butyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}piperazine-2-carboxylate

Sources & evidence

ORD record
ord-d169d041263b42299eda1fa3735c405e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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