1-(Bromomethyl)-4-(trifluoromethyl)benzene → 1-(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-carboxamide

HRID 2334326Notes

Reaction equation

HRID 2334326 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[c:10]3[n:11]([c:12]([N:14]4[CH2:15][C:16]([C:18](=[O:19])[NH2:20])([NH:21][CH2:22][CH3:23])[CH2:17]4)[n:13]2)[c:24](=[O:27])[nH:25][n:26]3)[cH:6][cH:7]1.[Cl:47][c:48]1[cH:49][cH:50][c:51](-[c:52]2[n:53][c:54]([N:55]3[CH2:56][C:57]([NH:58][CH2:59][CH3:60])([C:61]([NH2:62])=[O:63])[CH2:64]3)[n:65]3[c:66](=[O:67])[n:68]([CH2:69][CH3:70])[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:35][C:36]([c:37]1[cH:38][cH:39][c:40]([CH2:41][Br:42])[cH:43][cH:44]1)([F:45])[F:46]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[c:10]3[n:11]([c:12]([N:14]4[CH2:15][C:16]([C:18](=[O:19])[NH2:20])([NH:21][CH2:22][CH3:23])[CH2:17]4)[n:13]2)[c:24](=[O:27])[n:25]([CH2:41][c:40]2[cH:39][cH:38][c:37]([C:36]([F:35])([F:45])[F:46])[cH:44][cH:43]2)[n:26]3)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 1230621-(Bromomethyl)-4-(trifluoromethyl)benzeneHCID 159530981-(7,8-Bis(4-chlorophenyl)-2-ethyl-3-oxo-2,3-dihydro-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-(ethylamino)azetidine-3-carboxamideHCID 587728451-(7,8-Bis(4-chlorophenyl)-3-oxo-2,3-dihydro-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-(ethylamino)azetidine-3-carboxamide

Product 1

HCID 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-carboxamide

Sources & evidence

ORD record
ord-e82e2b0a6bd24db885c90a78e7b57ca2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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