4-(4-(3-Cyano-4-(ethylsulfonyl)phenylamino)-4-oxobutyl)phenylboronic acid → [4-[2-[[3-[3-Ethoxy-3-oxo-1-(phenylmethoxycarbonylamino)propyl]phenyl]carbamoyloxy]ethyl]-3-methylphenyl]boronic acid
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].[CH2:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[O:36][C:37](=[O:38])[NH:39][CH:40]([CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[c:47]1[cH:48][c:49]([NH:53][C:54](=[O:55])[O:56][CH2:57][CH2:58][c:59]2[c:60]([CH3:66])[cH:61][c:62]([Br:65])[cH:63][cH:64]2)[cH:50][cH:51][cH:52]1>>[B:25]([OH:26])([OH:27])[c:62]1[cH:61][c:60]([CH3:66])[c:59]([CH2:58][CH2:57][O:56][C:54]([NH:53][c:49]2[cH:48][c:47]([CH:40]([NH:39][C:37]([O:36][CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)=[O:38])[CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[cH:52][cH:51][cH:50]2)=[O:55])[cH:64][cH:63]1Participants
3
Sources & evidence
- ORD record
- ord-4c8ba941ddc64b5daafe37154cf7c717
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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