Methanol → 12-[3-methyl-2-[3-[5-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-2-methylsulfanylthiophen-3-yl]sulfonylphenyl]anilino]-12-oxododecanoic acid
Reaction equation
[CH2:3]([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:17]([NH:18][c:19]1[c:20](-[c:26]2[cH:27][c:28]([S:32](=[O:33])(=[O:34])[c:35]3[c:36]([S:50][CH3:51])[s:37][c:38]([C:40](=[NH:41])[NH:42][C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[cH:39]3)[cH:29][cH:30][cH:31]2)[c:21]([CH3:25])[cH:22][cH:23][cH:24]1)=[O:52])=[O:53].[CH3:54][OH:55].[Na+:2].[OH-:1]>>[O:5]=[C:6]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:17]([NH:18][c:19]1[c:20](-[c:26]2[cH:27][c:28]([S:32](=[O:33])(=[O:34])[c:35]3[c:36]([S:50][CH3:51])[s:37][c:38]([C:40](=[NH:41])[NH:42][C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[cH:39]3)[cH:29][cH:30][cH:31]2)[c:21]([CH3:25])[cH:22][cH:23][cH:24]1)=[O:52])[OH:53]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-c99bcea378234c6bb02381604ce1dfd1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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