Ethanol → 2,4,5,6-Tetrahydro-2-methyl-6-(4-aminobenzoyl)-pyrazolo[4,3-d][1]benzazepine

반응식

[CH2:29]([OH:30])[CH3:31].[CH3:1][n:2]1[n:3][c:4]2[c:5]([cH:26]1)[CH2:6][CH2:7][N:8]([C:15]([c:16]1[cH:17][cH:18][c:19]([N+:22]([O-:23])=[O:24])[cH:20][cH:21]1)=[O:25])[c:9]1[c:10]-2[cH:11][cH:12][cH:13][cH:14]1.[NH2:27][NH2:28]>>[CH3:1][n:2]1[n:3][c:4]2[c:5]([cH:26]1)[CH2:6][CH2:7][N:8]([C:15]([c:16]1[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]1)=[O:25])[c:9]1[c:10]-2[cH:11][cH:12][cH:13][cH:14]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 9321Hydrazine

HCID 571133932,4,5,6-Tetrahydro-2-methyl-6-(4-nitrobenzoyl)-pyrazolo[4,3-d][1]benzazepin

생성물 1

HCID 538901292,4,5,6-Tetrahydro-2-methyl-6-(4-aminobenzoyl)-pyrazolo[4,3-d][1]benzazepine

출처 및 근거

ORD 기록: ord-0b101316bb754e80a96c87f92108b488
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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