4-(4-(3-Cyano-4-(ethylsulfonyl)phenylamino)-4-oxobutyl)phenylboronic acid → 4-(2-(3-Cyano-4-(ethylsulfonyl)phenylcarbamoyloxy)ethyl)phenylboronic acid
반응식
[C:1]([c:2]1[cH:3][c:4]([NH:5][C:6](=[O:7])[CH2:8][CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([B:25]([OH:26])[OH:27])[cH:15][cH:16]2)[cH:17][cH:18][c:19]1[S:20]([CH2:21][CH3:22])(=[O:23])=[O:24])#[N:28].[C:29](#[N:30])[c:31]1[cH:32][c:33]([NH:42][C:43]([O:44][CH2:45][CH2:46][c:47]2[cH:48][cH:49][c:50]([Br:53])[cH:51][cH:52]2)=[O:54])[cH:34][cH:35][c:36]1[S:37](=[O:38])(=[O:39])[CH2:40][CH3:41]>>[B:25]([OH:26])([OH:27])[c:50]1[cH:49][cH:48][c:47]([CH2:46][CH2:45][O:44][C:43]([NH:42][c:33]2[cH:32][c:31]([C:29]#[N:30])[c:36]([S:37](=[O:38])(=[O:39])[CH2:40][CH3:41])[cH:35][cH:34]2)=[O:54])[cH:52][cH:51]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-e91e224b68244ddc86be9f6769a45501
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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