Hydrochloric Acid → HCID 77155222, compound

HRID 2161132Notes

Reaction equation

[C:33]([CH:34]([CH3:35])[CH3:36])(=[O:37])[Cl:38].[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:39]1[cH:40][cH:41][n:42][cH:43][cH:44]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:33]([CH:34]([CH3:35])[CH3:36])=[O:37]

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 1049Pyridine

HCID 62325Isobutyryl 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 77155222HCID 77155222, compound

Sources & evidence

ORD record: ord-5c893d61f0634fe1a536f06533a492e6
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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