3-Acetoxymethyl-1-(4-methoxy-benzenesulfonyl)-azepane-2-carboxylic acid → 3-Benzofuran-2-yl-1-(4-methoxy-benzenesulfonyl)-2,3,4,7-tetrahydro-1H-azepine-2-carboxylic acid

반응식

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

참가 물질

반응물 2

HCID 186896413-Acetoxymethyl-1-(4-methoxy-benzenesulfonyl)-azepane-2-carboxylic acid

HCID 543970693-Benzofuran-2-yl-1-(4-methoxy-benzene sulfonyl)-2,3,4,7-tetrahydro-1H-azepine-2-carboxylic acid tert-butyl ester

생성물 1

HCID 186896693-Benzofuran-2-yl-1-(4-methoxy-benzenesulfonyl)-2,3,4,7-tetrahydro-1H-azepine-2-carboxylic acid

출처 및 근거

ORD 기록: ord-1d2e833507d545c382158a9bffb383e5
출처 데이터셋: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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