1-(Bromomethyl)-4-(trifluoromethyl)benzene → 7,8-bis(4-chlorophenyl)-5-methyl-2-(4-(trifluoromethyl)benzyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

HRID 1143637Notes

Reaction equation

HRID 1143637 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:19]3[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]3)[c:10]3[n:11]([c:12]([CH3:14])[n:13]2)[c:15](=[O:18])[nH:16][n:17]3)[cH:6][cH:7]1.[Cl:38][c:39]1[cH:40][cH:41][c:42](-[c:43]2[n:44][c:45]([N:46]3[CH2:47][C:48]([NH:49][CH2:50][CH3:51])([C:52]([NH2:53])=[O:54])[CH2:55]3)[n:56]3[c:57](=[O:58])[n:59]([CH2:60][c:61]4[cH:62][cH:63][c:64]([C:65]([F:66])([F:67])[F:68])[cH:69][cH:70]4)[n:71][c:72]3[c:73]2-[c:74]2[cH:75][cH:76][c:77]([Cl:78])[cH:79][cH:80]2)[cH:81][cH:82]1.[F:26][C:27]([c:28]1[cH:29][cH:30][c:31]([CH2:32][Br:33])[cH:34][cH:35]1)([F:36])[F:37]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:19]3[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]3)[c:10]3[n:11]([c:12]([CH3:14])[n:13]2)[c:15](=[O:18])[n:16]([CH2:32][c:31]2[cH:30][cH:29][c:28]([C:27]([F:26])([F:36])[F:37])[cH:35][cH:34]2)[n:17]3)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 1230621-(Bromomethyl)-4-(trifluoromethyl)benzeneHCID 159531011-(7,8-Bis(4-chlorophenyl)-3-oxo-2-(4-(trifluoromethyl)benzyl)-2,3-dihydro-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-(ethylamino)azetidine-3-carboxamideHCID 587728427,8-bis(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

Product 1

HCID 159532817,8-bis(4-chlorophenyl)-5-methyl-2-(4-(trifluoromethyl)benzyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

Sources & evidence

ORD record
ord-b74380c7142049dd95355662165cb553
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…