Trifluoroacetic acid → 4-(Benzo[1,3]dioxol-5-yl)-2-(2,3-dimethylbenzamido)benzoic acid

HRID 139913

반응식

HRID 139913 반응식
[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8](-[c:10]1[cH:11][c:12]([NH:23][C:24]([c:25]3[c:26]([CH3:32])[c:27]([CH3:31])[cH:28][cH:29][cH:30]3)=[O:33])[c:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[cH:21][cH:22]1)[cH:9]2.[OH:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8](-[c:10]1[cH:11][c:12]([NH:23][C:24]([c:25]3[c:26]([CH3:32])[c:27]([CH3:31])[cH:28][cH:29][cH:30]3)=[O:33])[c:13]([C:14](=[O:15])[OH:16])[cH:21][cH:22]1)[cH:9]2

참가 물질

3

반응물 2

HCID 6422Trifluoroacetic acidHCID 67342913Tert-butyl 4-(benzo[1,3]dioxol-5-yl)-2-(2,3-dimethylbenzamido)benzoate

생성물 1

HCID 578794104-(Benzo[1,3]dioxol-5-yl)-2-(2,3-dimethylbenzamido)benzoic acid

출처 및 근거

ORD 기록
ord-880e0a7bf9714dd889ede10e0182b21e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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