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

HRID 2158725Notes

Reaction equation

HRID 2158725 reaction equation
[CH2:57]([N:58]=[C:59]=[N:60][CH2:61][CH2:62][CH2:63][N:64]([CH3:65])[CH3:66])[CH3:67].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[ClH:56].[NH2:1][CH2:2][C:3]1([C:24]([F:25])([F:26])[F:27])[NH:4][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:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:38].[OH2:68].[OH:28][C:29](=[O:30])[c:31]1[cH:32][cH:33][c:34]([F:35])[cH:36][cH:37]1.[OH:39][c:40]1[c:41]2[n:42][n:43][nH:44][c:45]2[cH:46][cH:47][cH:48]1>>[NH:1]([CH2:2][C:3]1([C:24]([F:25])([F:26])[F:27])[NH:4][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:29](=[O:28])[c:31]1[cH:32][cH:33][c:34]([F:35])[cH:36][cH:37]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962Water2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 99734-Fluorobenzoic AcidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 684886144-(aminomethyl)-6-bromo-1-(4-methoxybenzyl)-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-oneHCID 178418300HCID 178418300, compound

Product 1

HCID 68486610N-{[6-bromo-1-(4-methoxybenzyl)-2-oxo-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-4-yl]methyl}-4-fluorobenzamide

Sources & evidence

ORD record
ord-24b7134147094a16b51e2177bb716a06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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