Dichloromethane → 1-(2-cyano-4-(2-methoxy-2-oxoethyl)phenyl)-1H-indole-5-carboxylic acid

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 68515072tert-butyl 1-(2-cyano-4-(2-methoxy-2-oxoethyl)phenyl)-1H-indole-5-carboxylate

생성물 1

HCID 685123251-(2-cyano-4-(2-methoxy-2-oxoethyl)phenyl)-1H-indole-5-carboxylic acid

출처 및 근거

ORD 기록: ord-e7385a7a0c844226afc6973b032518d0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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