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Dichloromethane → 2-[[4-[4-[(4-Methoxy-3,5-dimethyl-1-benzofuran-2-carbonyl)amino]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid

HRID 1117132
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반응식

HRID 1117132 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH:8]([CH3:9])[CH3:10])[NH:11][S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18](-[c:21]2[cH:22][cH:23][c:24]([NH:27][C:28](=[O:29])[c:30]3[o:31][c:32]4[c:33]([c:34]3[CH3:35])[c:36]([O:41][CH3:42])[c:37]([CH3:40])[cH:38][cH:39]4)[cH:25][cH:26]2)[cH:19][cH:20]1)=[O:43].[Cl:51][CH2:52][Cl:53].[F:44][C:45]([F:46])([F:47])[C:48]([OH:49])=[O:50]>>[O:5]=[C:6]([CH:7]([CH:8]([CH3:9])[CH3:10])[NH:11][S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18](-[c:21]2[cH:22][cH:23][c:24]([NH:27][C:28](=[O:29])[c:30]3[o:31][c:32]4[c:33]([c:34]3[CH3:35])[c:36]([O:41][CH3:42])[c:37]([CH3:40])[cH:38][cH:39]4)[cH:25][cH:26]2)[cH:19][cH:20]1)[OH:43]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 68713926Tert-butyl 2-[[4-[4-[(4-methoxy-3,5-dimethyl-1-benzofuran-2-carbonyl)amino]phenyl]phenyl]sulfonylamino]-3-methylbutanoate

생성물 1

HCID 687096192-[[4-[4-[(4-Methoxy-3,5-dimethyl-1-benzofuran-2-carbonyl)amino]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid

출처 및 근거

ORD 기록
ord-13228c30455f431f865b9ecbe202c063
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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