Bis(neopentyl glycolato)diboron → 4-(4-(3-((tert-Butoxycarbonyl(methyl)amino)methyl)-4-(isopropylsulfonyl)phenylamino)-4-oxobutyl)-3-ethylphenylboronic acid

HRID 807827Notes

Reaction equation

HRID 807827 reaction equation
[Br:29][c:30]1[cH:31][c:32]([CH2:64][CH3:65])[c:33]([CH2:36][CH2:37][CH2:38][C:39](=[O:40])[NH:41][c:42]2[cH:43][cH:44][c:45]([S:58](=[O:59])(=[O:60])[CH:61]([CH3:62])[CH3:63])[c:46]([CH2:47][N:48]([C:49]([O:50][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:55])[CH3:56])[cH:57]2)[cH:34][cH:35]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].[CH3:66][C:67]1([CH3:68])[CH2:69][O:70][B:71]([B:72]2[O:73][CH2:74][C:75]([CH3:76])([CH3:77])[CH2:78][O:79]2)[O:80][CH2:81]1>>[B:25]([OH:26])([OH:27])[c:30]1[cH:31][c:32]([CH2:64][CH3:65])[c:33]([CH2:36][CH2:37][CH2:38][C:39](=[O:40])[NH:41][c:42]2[cH:43][cH:44][c:45]([S:58](=[O:59])(=[O:60])[CH:61]([CH3:62])[CH3:63])[c:46]([CH2:47][N:48]([C:49]([O:50][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:55])[CH3:56])[cH:57]2)[cH:34][cH:35]1

Participants

4

Reactant 3

HCID 2734316Bis(neopentyl glycolato)diboronHCID 578426844-(4-(3-Cyano-4-(ethylsulfonyl)phenylamino)-4-oxobutyl)phenylboronic acidHCID 57842767tert-Butyl 5-(4-(4-bromo-2-ethylphenyl)butanamido)-2-(isopropylsulfonyl)benzyl(methyl)carbamate

Product 1

HCID 578428014-(4-(3-((tert-Butoxycarbonyl(methyl)amino)methyl)-4-(isopropylsulfonyl)phenylamino)-4-oxobutyl)-3-ethylphenylboronic acid

Sources & evidence

ORD record
ord-10e81da5186c4207bba249636529dbb6
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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