Glyoxylic Acid → 2-(1-(bis(tert-Butoxycarbonyl)amino)isoquinolin-6-ylamino)-2-(4-(4-(3-((tert-butoxycarbonyl(methyl)amino)methyl)-4-(isopropylsulfonyl)phenylamino)-4-oxobutyl)phenyl)acetic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH2:10][c:11]1[cH:12][c:13]([NH:23][C:24]([CH2:25][CH2:26][CH2:27][c:28]2[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]2)=[O:37])[cH:14][cH:15][c:16]1[S:17](=[O:18])(=[O:19])[CH:20]([CH3:21])[CH3:22].[C:65]([CH:66]=[O:67])(=[O:68])[OH:69].[NH2:38][c:39]1[cH:40][c:41]2[cH:42][cH:43][n:44][c:45]([N:49]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[C:57](=[O:58])[O:59][C:60]([CH3:61])([CH3:62])[CH3:63])[c:46]2[cH:47][cH:48]1.[OH2:64]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH2:10][c:11]1[cH:12][c:13]([NH:23][C:24]([CH2:25][CH2:26][CH2:27][c:28]2[cH:29][cH:30][c:31]([CH:66]([NH:38][c:39]3[cH:40][c:41]4[cH:42][cH:43][n:44][c:45]([N:49]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[C:57](=[O:58])[O:59][C:60]([CH3:61])([CH3:62])[CH3:63])[c:46]4[cH:47][cH:48]3)[C:65](=[O:68])[OH:69])[cH:32][cH:33]2)=[O:37])[cH:14][cH:15][c:16]1[S:17](=[O:18])(=[O:19])[CH:20]([CH3:21])[CH3:22]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-633984f648d64e20a3291a5fddbde0cc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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