Hydrochloric Acid → HCID 77155272, compound

HRID 662377Notes

Reaction equation

HRID 662377 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:39][C:40]([C:41](=[O:42])[Cl:43])([CH3:44])[CH3:45].[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: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:41]([C:40]([CH3:39])([CH3:44])[CH3:45])=[O:42]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 8028TetrahydrofuranHCID 62493Pivaloyl 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 77155272HCID 77155272, compound

Sources & evidence

ORD record
ord-8dd4bbb6f4824bf384d563a794bfcca2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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