Citric Acid → 2-[4-({[2-[(Tert-butoxycarbonyl)amino]-5-(3-thienyl)phenyl]amino}carbonyl)-phenyl]-3-{[(methylamino)carbonyl]amino}propanoic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:20][C:21](=[O:22])[c:23]2[cH:24][cH:25][c:26]([CH:29]([C:30](=[O:31])[O:32][CH3:33])[CH2:34][NH:35][C:36](=[O:37])[NH:38][CH3:39])[cH:27][cH:28]2)[cH:11][c:12](-[c:15]2[cH:16][s:17][cH:18][cH:19]2)[cH:13][cH:14]1.[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:47][OH:48].[K+:41].[OH-:40].[OH:49][C:50]([CH2:51][C:52]([C:53](=[O:54])[OH:55])([CH2:56][C:57](=[O:58])[OH:59])[OH:60])=[O:61]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:20][C:21](=[O:22])[c:23]2[cH:24][cH:25][c:26]([CH:29]([C:30](=[O:31])[OH:32])[CH2:34][NH:35][C:36](=[O:37])[NH:38][CH3:39])[cH:27][cH:28]2)[cH:11][c:12](-[c:15]2[cH:16][s:17][cH:18][cH:19]2)[cH:13][cH:14]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-a8afef078ad94ab1befb2ec1e6912c62
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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