Citric Acid → 2-(4-{6-[3-(4-tert-Butylbenzamido)-2-methylphenyl]-4-methyl-3-oxo-3,4-dihydropyrazin-2-ylamino}phenyl)-2-[isopropyl(methyl)amino]acetic Acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:44])[c:14](-[c:18]3[cH:19][n:20]([CH3:43])[c:21](=[O:42])[c:22]([NH:24][c:25]4[cH:26][cH:27][c:28]([CH:31]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[N:37]([CH3:38])[CH:39]([CH3:40])[CH3:41])[cH:29][cH:30]4)[n:23]3)[cH:15][cH:16][cH:17]2)[cH:45][cH:46]1.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:68][CH2:69][OH:70].[Li+:52].[OH-:53].[OH2:67].[OH:54][C:55]([CH2:56][C:57]([C:58](=[O:59])[OH:60])([CH2:61][C:62](=[O:63])[OH:64])[OH:65])=[O:66]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:44])[c:14](-[c:18]3[cH:19][n:20]([CH3:43])[c:21](=[O:42])[c:22]([NH:24][c:25]4[cH:26][cH:27][c:28]([CH:31]([C:32](=[O:33])[OH:34])[N:37]([CH3:38])[CH:39]([CH3:40])[CH3:41])[cH:29][cH:30]4)[n:23]3)[cH:15][cH:16][cH:17]2)[cH:45][cH:46]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-385fa2e68b6e4c49a3179555b3e58672
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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