ethyl 1-[N-(3,4-methylenedioxyphenylcarbonyl) amino]cyclohexanecarboxylate → 1-[N-(4-methoxybenzenesulfonyl)amino]cyclohexanecarboxylic acid

반응식

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

참가 물질

반응물 2

HCID 23297898ethyl 1-[N-(3,4-methylenedioxyphenylcarbonyl) amino]cyclohexanecarboxylate

HCID 23297905phenylmethyl 1-[N-(4-methoxybenzenesulfonyl)amino]cyclohexanecarboxylate

생성물 1

HCID 9741571-[N-(4-methoxybenzenesulfonyl)amino]cyclohexanecarboxylic acid

출처 및 근거

ORD 기록: ord-b72331f570ef40caad9f0f75d9063ce9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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