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

HRID 1205453Notes

Reaction equation

HRID 1205453 reaction equation
[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Cl:1][c:2]1[c:3](-[c:8]2[c:9]3[c:14]([cH:15][c:16]([CH:18]=[C:19]4[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]4)[cH:17]2)[N:13]([c:32]2[c:33]([Cl:39])[cH:34][cH:35][cH:36][c:37]2[Cl:38])[C:12](=[O:40])[NH:11][CH2:10]3)[cH:4][cH:5][cH:6][cH:7]1.[OH2:47].[Pt:48](=[O:49])=[O:50]>>[Cl:1][c:2]1[c:3](-[c:8]2[c:9]3[c:14]([cH:15][c:16]([CH2:18][CH:19]4[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]4)[cH:17]2)[N:13]([c:32]2[c:33]([Cl:39])[cH:34][cH:35][cH:36][c:37]2[Cl:38])[C:12](=[O:40])[NH:11][CH2:10]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 8857Ethyl AcetateHCID 345198Adams' catalystHCID 22648188Tert-butyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methylene}piperidine-1-carboxylate

Product 1

HCID 22647967Tert-butyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}piperidine-1-carboxylate

Sources & evidence

ORD record
ord-7fbf62023349473a80595047bf9fbb24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…