Trifluoroacetic acid → 2-(3,5-Dichlorobenzamido)-4-phenethylbenzoic acid

반응식

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

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 67342900Tert-butyl 2-(3,5-dichlorobenzamido)-4-phenethylbenzoate

생성물 1

HCID 578793712-(3,5-Dichlorobenzamido)-4-phenethylbenzoic acid

출처 및 근거

ORD 기록: ord-fa9ed117e18140898705a5468df173b8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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