Acetone → 5-(3-chlorophenyl)-alpha-(4-chlorophenyl)-alpha-(4-methyl-4H-1,2,4-triazol-3-yl)-tetrazolo[1,5-a]quinazoline-7-methanamine

HRID 2316657Notes

Reaction equation

HRID 2316657 reaction equation
[CH3:38][C:39](=[O:40])[CH3:41].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]3[n:11]([c:12]4[cH:13][cH:14][c:15]([C:18]([NH2:19])([c:20]5[n:21][n:22][c:23]([S:26][CH3:27])[n:24]5[CH3:25])[c:28]5[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]5)[cH:16][c:17]24)[n:35][n:36][n:37]3)[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]3[n:11]([c:12]4[cH:13][cH:14][c:15]([C:18]([NH2:19])([c:20]5[n:21][n:22][cH:23][n:24]5[CH3:25])[c:28]5[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]5)[cH:16][c:17]24)[n:35][n:36][n:37]3)[cH:5][cH:6][cH:7]1

Participants

3

Reactant 2

HCID 180AcetoneHCID 210820625-(3-chlorophenyl)-alpha-(4-chlorophenyl)-alpha-[4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)-tetrazolo[1,5-a]quinazoline-7-methanamine

Product 1

HCID 210820015-(3-chlorophenyl)-alpha-(4-chlorophenyl)-alpha-(4-methyl-4H-1,2,4-triazol-3-yl)-tetrazolo[1,5-a]quinazoline-7-methanamine

Sources & evidence

ORD record
ord-8b7e53068f204d96a9751932463f813a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…