Chloride → 5-(azetidin-1-yl)-7,8-bis(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

HRID 689394Notes

Reaction equation

HRID 689394 reaction equation
[Cl-:26].[Cl:1][c:2]1[n:3]2[c:4](=[O:5])[nH:6][n:7][c:8]2[c:9](-[c:10]2[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[c:17](-[c:18]2[cH:19][cH:20][c:21]([Cl:22])[cH:23][cH:24]2)[n:25]1.[Cl:30][c:31]1[cH:32][cH:33][c:34](-[c:37]2[c:38](-[c:59]3[cH:60][cH:61][c:62]([Cl:65])[cH:63][cH:64]3)[c:39]3[n:40]([c:41]([N:43]4[CH2:44][C:45]([NH:47][CH2:48][CH3:49])([C:50]([NH2:51])=[O:52])[CH2:46]4)[n:42]2)[c:53](=[O:58])[n:54]([CH2:56][CH3:57])[n:55]3)[cH:35][cH:36]1.[I:27][CH2:28][CH3:29]>>[Cl:30][c:31]1[cH:32][cH:33][c:34](-[c:37]2[c:38](-[c:59]3[cH:60][cH:61][c:62]([Cl:65])[cH:63][cH:64]3)[c:39]3[n:40]([c:41]([N:43]4[CH2:44][CH2:45][CH2:46]4)[n:42]2)[c:53](=[O:58])[n:54]([CH2:56][CH3:57])[n:55]3)[cH:35][cH:36]1

Participants

5

Reactant 4

HCID 312ChlorideHCID 6340IodoethaneHCID 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 587728405-chloro-7,8-bis(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

Product 1

HCID 159532435-(azetidin-1-yl)-7,8-bis(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

Sources & evidence

ORD record
ord-a3a388f3041143f9bc1558614ed76373
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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