Ethyl 3-benzylamino-5-dimethylsulphamyl-4-phenoxy-benzoate → 3-Benzylamino-5-(n-butylsulphamyl)-4-phenoxy-benzoic acid

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:17][c:18]([S:27]([NH:28][CH2:29][CH2:30][CH2:31][CH3:32])(=[O:33])=[O:34])[c:19]1[O:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH2:35]([NH:36][c:37]1[cH:38][c:39]([C:56]([O:57][CH2:58][CH3:59])=[O:60])[cH:40][c:41]([S:42](=[O:43])(=[O:44])[N:45]([CH3:46])[CH3:47])[c:48]1[O:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:17][c:18]([S:27]([NH:28][CH2:29][CH2:30][CH2:31][CH3:32])(=[O:33])=[O:34])[c:19]1[O:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1

참가 물질

반응물 2

HCID 21506051Ethyl 3-benzylamino-5-dimethylsulphamyl-4-phenoxy-benzoate

HCID 21506077HCID 21506077, 화합물

생성물 1

HCID 215060973-Benzylamino-5-(n-butylsulphamyl)-4-phenoxy-benzoic acid

출처 및 근거

ORD 기록: ord-4aeb51f6b52c421b87bcd8549ce033bf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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