Hydrochloric Acid → N-[6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-fluorocyclopropane-1-carboxamide

HRID 192282

Reaction equation

HRID 192282 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[ClH:1].[F:39][C:40]1([C:43](=[O:44])[Cl:45])[CH2:41][CH2:42]1.[NH2:2][c:3]1[n:4][n:5]2[c:6]([n:32]1)[N:7]([c:22]1[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]1)[C:8]([CH3:21])=[C:9]([C:19]#[N:20])[CH:10]2[c:11]1[cH:12][cH:13][c:14]([C:17]#[N:18])[cH:15][cH:16]1.[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[NH:2]([c:3]1[n:4][n:5]2[c:6]([n:32]1)[N:7]([c:22]1[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]1)[C:8]([CH3:21])=[C:9]([C:19]#[N:20])[CH:10]2[c:11]1[cH:12][cH:13][c:14]([C:17]#[N:18])[cH:15][cH:16]1)[C:43]([C:40]1([F:39])[CH2:41][CH2:42]1)=[O:44]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 8028TetrahydrofuranHCID 541018221-Fluorocyclopropanecarbonyl chlorideHCID 712318442-amino-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

Product 1

HCID 77155219N-[6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-fluorocyclopropane-1-carboxamide

Sources & evidence

ORD record
ord-020d03dbfeea40b9a130f560bfdfa26c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

Loading…