4-(2-(3-((Benzyloxycarbonylamino)methyl)-4-(ethylsulfonyl)phenylamino)-2-oxoethoxy)-3,5-dimethylphenylboronic acid → 2-(4-(2-(3-((Benzyloxycarbonylamino)methyl)-4-(ethylsulfonyl)phenylamino)-2-oxoethoxy)-3,5-dimethylphenyl)-2-(1-(bis(tert-butoxycarbonyl)amino)isoquinolin-6-ylamino)acetic acid
Reaction equation
[CH2:1]([O:2][C:3]([NH:4][CH2:5][c:6]1[cH:7][c:8]([NH:9][C:10](=[O:11])[CH2:12][O:13][c:14]2[cH:15][cH:16][c:17]([CH:29]([C:30](=[O:31])[OH:32])[NH:33][c:34]3[cH:35][c:36]4[cH:37][cH:38][n:39][c:40]([N:44]([C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[c:41]4[cH:42][cH:43]3)[cH:18][cH:19]2)[cH:20][cH:21][cH:22]1)=[O:23])[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:59]1.[CH2:60]([c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[O:67][C:68](=[O:69])[NH:70][CH2:71][c:72]1[cH:73][c:74]([NH:83][C:84]([CH2:85][O:86][c:87]2[c:88]([CH3:97])[cH:89][c:90]([B:94]([OH:95])[OH:96])[cH:91][c:92]2[CH3:93])=[O:98])[cH:75][cH:76][c:77]1[S:78](=[O:79])(=[O:80])[CH2:81][CH3:82]>>[CH:29]([C:30](=[O:31])[OH:32])([NH:33][c:34]1[cH:35][c:36]2[cH:37][cH:38][n:39][c:40]([N:44]([C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[c:41]2[cH:42][cH:43]1)[c:90]1[cH:89][c:88]([CH3:97])[c:87]([O:86][CH2:85][C:84]([NH:83][c:74]2[cH:73][c:72]([CH2:71][NH:70][C:68]([O:67][CH2:60][c:61]3[cH:62][cH:63][cH:64][cH:65][cH:66]3)=[O:69])[c:77]([S:78](=[O:79])(=[O:80])[CH2:81][CH3:82])[cH:76][cH:75]2)=[O:98])[c:92]([CH3:93])[cH:91]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-d0c634b347b440d8af7b5da1e8c2eabb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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