Hydrochloric Acid → 2-((4-(aminomethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one

HRID 290416Notes

Reaction equation

[CH3:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([CH2:11][n:12]3[n:13][c:14]([C:19]([F:20])([F:21])[F:22])[c:15]([CH:17]=[O:18])[cH:16]3)[nH:8][c:9]2=[O:10])[s:23]1.[CH3:27][CH2:28][OH:29].[CH3:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[ClH:24].[NH2:25][OH:26].[Zn:37]>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([CH2:11][n:12]3[n:13][c:14]([C:19]([F:20])([F:21])[F:22])[c:15]([CH2:17][NH2:25])[cH:16]3)[nH:8][c:9]2=[O:10])[s:23]1

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 702Ethanol

HCID 787Hydroxylamine

HCID 8900Heptane

HCID 23994Zinc

HCID 866303971-((6-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde

Product 1

HCID 665917222-((4-(aminomethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one

Sources & evidence

ORD record: ord-d4a4e105ecab417eb566a12f82d7b96e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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