Acetate → 4-{4-Cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]isoxazol-3-yl}-5-(2,4-dimethylphenylcarbamoyl)valeric acid
반응식
[BrH:37].[CH3:39][C:40](=[O:41])[O-:42].[CH3:43][C:44](=[O:45])[OH:46].[CH:1]1([c:4]2[c:5]([CH:18]([CH2:19][CH2:20][C:21](=[O:22])[O:23][CH3:24])[CH2:25][C:26]([NH:27][c:28]3[c:29]([CH3:35])[cH:30][c:31]([CH3:34])[cH:32][cH:33]3)=[O:36])[n:6][o:7][c:8]2[CH:9]2[CH2:10][CH:11]([CH2:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:12]2)[CH2:2][CH2:3]1.[Na+:38]>>[CH:1]1([c:4]2[c:5]([CH:18]([CH2:19][CH2:20][C:21](=[O:22])[OH:23])[CH2:25][C:26]([NH:27][c:28]3[c:29]([CH3:35])[cH:30][c:31]([CH3:34])[cH:32][cH:33]3)=[O:36])[n:6][o:7][c:8]2[CH:9]2[CH2:10][CH:11]([CH2:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:12]2)[CH2:2][CH2:3]1참가 물질
6
반응물 5
생성물 1
출처 및 근거
- ORD 기록
- ord-8aafe6bf955e4c8a913db3303eb991fc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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