Trifluoroacetic acid → 2-((4-(Acetamido)phenyl)amino)-4-phenethylbenzoic acid

HRID 671752

반응식

HRID 671752 반응식
[C:8]([CH3:9])(=[O:10])[NH:11][c:12]1[cH:13][cH:14][c:15]([NH:18][c:19]2[c:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29][c:30]([CH2:32][CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:31]2)[cH:16][cH:17]1.[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[C:8]([CH3:9])(=[O:10])[NH:11][c:12]1[cH:13][cH:14][c:15]([NH:18][c:19]2[c:20]([C:21](=[O:22])[OH:23])[cH:28][cH:29][c:30]([CH2:32][CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:31]2)[cH:16][cH:17]1

참가 물질

3

반응물 2

HCID 6422Trifluoroacetic acidHCID 68957261Tert-butyl 2-((4-(acetamido)phenyl)amino)-4-phenethylbenzoate

생성물 1

HCID 576680632-((4-(Acetamido)phenyl)amino)-4-phenethylbenzoic acid

출처 및 근거

ORD 기록
ord-cc29947b22614d059b578b5d74c80217
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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