Acetone → 4-[(Benzoylamino)thioxomethyl]-4,5-dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

HRID 87516

반응식

HRID 87516 반응식
[C:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)(=[O:30])[N:31]=[C:32]=[S:33].[CH3:34][C:35](=[O:36])[CH3:37].[F:1][C:2]([c:3]1[cH:4][c:5]([C:9]2=[CH:10][CH2:11][NH:12][c:13]3[n:14]2[n:15][cH:16][c:17]3[C:18](=[O:19])[NH2:20])[cH:6][cH:7][cH:8]1)([F:21])[F:22]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:9]2=[CH:10][CH2:11][N:12]([C:32]([NH:31][C:23]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)=[O:30])=[S:33])[c:13]3[n:14]2[n:15][cH:16][c:17]3[C:18](=[O:19])[NH2:20])[cH:6][cH:7][cH:8]1)([F:21])[F:22]

참가 물질

4

반응물 3

HCID 180AcetoneHCID 68284Benzoyl isothiocyanateHCID 27370934,5-Dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

생성물 1

HCID 157027764-[(Benzoylamino)thioxomethyl]-4,5-dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

출처 및 근거

ORD 기록
ord-992ef668e81f4aa5b9fc7779e1c24742
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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