4-(4-(3-Cyano-4-(ethylsulfonyl)phenylamino)-4-oxobutyl)phenylboronic acid → HCID 68818193, compound
Reaction equation
[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:37][C:38]([O:39][CH2:40][CH2:41][c:42]2[c:43]([CH2:49][CH3:50])[cH:44][c:45]([Br:48])[cH:46][cH:47]2)=[O:51])[cH:34][cH:35][cH:36]1>>[B:25]([OH:26])([OH:27])[c:45]1[cH:44][c:43]([CH2:49][CH3:50])[c:42]([CH2:41][CH2:40][O:39][C:38]([NH:37][c:33]2[cH:32][c:31]([C:29]#[N:30])[cH:36][cH:35][cH:34]2)=[O:51])[cH:47][cH:46]1Participants
3
Sources & evidence
- ORD record
- ord-8849e01de56f44f7800de1a82564c67a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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