Hydrochloric Acid → N-{[6-bromo-1-(4-methoxybenzyl)-3-methyl-2-oxo-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-4-yl]methyl}4-fluorobenzamide

HRID 674714Notes

Reaction equation

HRID 674714 reaction equation
[CH3:40][N:41]([CH3:42])[CH2:43][CH2:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH3:50].[CH:74]([Cl:75])([Cl:76])[Cl:77].[ClH:39].[H-:51].[NH2:1][CH2:2][C:3]1([C:25]([F:26])([F:27])[F:28])[N:4]([CH3:24])[C:5](=[O:23])[N:6]([CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[c:7]2[cH:8][cH:9][c:10]([Br:13])[cH:11][c:12]21.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][c:35]([F:36])[cH:37][cH:38]1.[OH:52][n:53]1[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[cH:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1>>[NH:1]([CH2:2][C:3]1([C:25]([F:26])([F:27])[F:28])[N:4]([CH3:24])[C:5](=[O:23])[N:6]([CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[c:7]2[cH:8][cH:9][c:10]([Br:13])[cH:11][c:12]21)[C:30](=[O:29])[c:32]1[cH:33][cH:34][c:35]([F:36])[cH:37][cH:38]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 962WaterHCID 1049PyridineHCID 6212ChloroformHCID 6228DimethylformamideHCID 99734-Fluorobenzoic AcidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 166653HydrideHCID 684894644-(aminomethyl)-6-bromo-1-(4-methoxybenzyl)-3-methyl-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one

Product 1

HCID 68487482N-{[6-bromo-1-(4-methoxybenzyl)-3-methyl-2-oxo-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-4-yl]methyl}4-fluorobenzamide

Sources & evidence

ORD record
ord-2b514b0b6720421ea85107ea45085a72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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