Hydrochloric Acid → HCID 77155267, compound

HRID 1558733Notes

Reaction equation

[CH:33]1([C:39](=[O:40])[Cl:41])[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[ClH: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:42]1[cH:43][cH:44][n:45][cH:46][cH:47]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:39]([CH:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1)=[O:40]

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 1049Pyridine

HCID 75938Cyclohexanecarbonyl chloride

HCID 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 77155267HCID 77155267, compound

Sources & evidence

ORD record: ord-bc9c4ad08718471db08d1b829dce2f20
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…