Thionyl Chloride → 7-[Chloro-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinazoline

Reaction equation

[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]([OH:19])([c:20]5[cH:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]5)[c:27]5[cH:28][n:29][cH:30][n:31]5[CH3:32])[cH:16][c:17]24)[n:33][n:34][n:35]3)[cH:5][cH:6][cH:7]1.[S:36]([Cl:37])([Cl:38])=[O:39]>>[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]([c:20]5[cH:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]5)([c:27]5[cH:28][n:29][cH:30][n:31]5[CH3:32])[Cl:38])[cH:16][c:17]24)[n:33][n:34][n:35]3)[cH:5][cH:6][cH:7]1

Participants

Reactant 2

HCID 24386Thionyl Chloride

HCID 686877095-(3-chlorophenyl)-alpha-(1-methyl-1H-imidazol-5-yl)-alpha-(4-methylphenyl)-tetrazolo[1,5-a]quinazoline-7-methanol

Product 1

HCID 686904727-[Chloro-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinazoline

Sources & evidence

ORD record: ord-ac39bac24f324e1cbf44cc034816d720
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…