4-(4-(3-Cyano-4-(ethylsulfonyl)phenylamino)-4-oxobutyl)phenylboronic acid → HCID 68816554, compound
Reaction equation
[Br:29][c:30]1[cH:31][cH:32][c:33]([CH2:34][CH2:35][N:36]([C:37](=[O:38])[NH:39][c:40]2[cH:41][c:42]([C:51]#[N:52])[c:43]([S:46](=[O:47])(=[O:48])[CH2:49][CH3:50])[cH:44][cH:45]2)[CH3:53])[cH:54][cH:55]1.[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]>>[B:25]([OH:26])([OH:27])[c:30]1[cH:31][cH:32][c:33]([CH2:34][CH2:35][N:36]([C:37](=[O:38])[NH:39][c:40]2[cH:41][c:42]([C:51]#[N:52])[c:43]([S:46](=[O:47])(=[O:48])[CH2:49][CH3:50])[cH:44][cH:45]2)[CH3:53])[cH:54][cH:55]1Participants
3
Sources & evidence
- ORD record
- ord-9ee2d48aa4ce472da23df1c2977f403a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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