Hydrochloric Acid → HCID 77155248, compound

HRID 1545121Notes

Reaction equation

[C:33]([CH3:34])(=[O:35])[O:36][CH2:37][C:38](=[O:39])[Cl:40].[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:41]1[cH:42][cH:43][n:44][cH:45][cH:46]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:38]([CH2:37][O:36][C:33]([CH3:34])=[O:35])=[O:39]

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 1049Pyridine

HCID 26297Acetoxyacetyl 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 77155248HCID 77155248, compound

Sources & evidence

ORD record: ord-c0edfeefe3fa4f0a8bf623b470950e74
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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