Methanol → 3-(4-{6-[5-(3-Chlorophenylamino)-[1,3,4]oxadiazol-2-yl]-1H-benzoimidazol-2-yl}-3,5-dimethylphenyl)-propionic acid
반응식
[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([CH3:35])[c:9](-[c:13]2[n:14][c:15]3[c:16]([nH:17]2)[cH:18][c:19](-[c:22]2[o:23][c:24]([NH:27][c:28]4[cH:29][c:30]([Cl:34])[cH:31][cH:32][cH:33]4)[n:25][n:26]2)[cH:20][cH:21]3)[c:10]([CH3:12])[cH:11]1)=[O:36].[CH3:39][OH:40].[Na+:38].[OH-:37]>>[O:2]=[C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([CH3:35])[c:9](-[c:13]2[n:14][c:15]3[c:16]([nH:17]2)[cH:18][c:19](-[c:22]2[o:23][c:24]([NH:27][c:28]4[cH:29][c:30]([Cl:34])[cH:31][cH:32][cH:33]4)[n:25][n:26]2)[cH:20][cH:21]3)[c:10]([CH3:12])[cH:11]1)[OH:36]참가 물질
5
반응물 4
생성물 1
출처 및 근거
- ORD 기록
- ord-eed77f14be924e4e94d5e0a01b8e814c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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