Dichloromethane → 1-[3-(4-Octylphenoxy)-2-oxopropyl]indole-3-carboxylic acid

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][n:10]([CH2:17][C:18]([CH2:19][O:20][c:21]2[cH:22][cH:23][c:24]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:25][cH:26]2)=[O:35])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12.[Cl:43][CH2:44][Cl:45].[OH:36][C:37]([C:38]([F:39])([F:40])[F:41])=[O:42]>>[O:5]=[C:6]([OH:7])[c:8]1[cH:9][n:10]([CH2:17][C:18]([CH2:19][O:20][c:21]2[cH:22][cH:23][c:24]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:25][cH:26]2)=[O:35])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 12992905tert-Butyl-1-[3-(4-octylphenoxy)-2-oxopropyl]indole-3-carboxylate

생성물 1

HCID 115535641-[3-(4-Octylphenoxy)-2-oxopropyl]indole-3-carboxylic acid

출처 및 근거

ORD 기록: ord-b926d8d0cabc4df793a27c25239b2c29
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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