Dichloromethane → 3-Methyl-2-[[4-[4-[(5-methyl-1,3-benzoxazole-2-carbonyl)amino]phenyl]phenyl]sulfonylamino]butanoic acid
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]([n:34]3)[cH:35][c:36]([CH3:39])[cH:37][cH:38]4)[cH:25][cH:26]2)[cH:19][cH:20]1)=[O:40].[Cl:48][CH2:49][Cl:50].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47]>>[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]([n:34]3)[cH:35][c:36]([CH3:39])[cH:37][cH:38]4)[cH:25][cH:26]2)[cH:19][cH:20]1)[OH:40]참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-75e75b50ebac4e3a8586ef3bf7848c64
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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