Acetone → 4-(5-nitro-1H-indol-3-yl)cyclohex-3-en-1-one

반응식

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

참가 물질

반응물 3

HCID 180Acetone

HCID 313Hydrochloric Acid

HCID 573848065-Nitro-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-indole

생성물 1

HCID 573845384-(5-nitro-1H-indol-3-yl)cyclohex-3-en-1-one

출처 및 근거

ORD 기록: ord-b68b203418cc4c50b2cba2c1bb5e3677
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…