Ethanol → 4-[(3-isopropyl-1H-indol-5-yl)oxy]-3,5-dimethylaniline

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 887Methanol

HCID 226695113-Isopropyl-5-(4-nitro-2,6-dimethyl-phenoxy)-1H-indole

생성물 1

HCID 226697004-[(3-isopropyl-1H-indol-5-yl)oxy]-3,5-dimethylaniline

출처 및 근거

ORD 기록: ord-8ee402369b3646f18f6211a07c916ec9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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