Citric Acid → (2-{5-(2-methoxyethoxy)-7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)acetic acid

HRID 311773Notes

Reaction equation

HRID 311773 reaction equation
[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[O-:6])[CH:7]1[CH2:8][N:9]=[C:10]([c:12]2[nH:13][c:14]3[c:15]([N:26]([S:27](=[O:28])(=[O:29])[c:30]4[s:31][cH:32][cH:33][cH:34]4)[CH3:35])[cH:16][c:17]([O:21][CH2:22][CH2:23][O:24][CH3:25])[cH:18][c:19]3[cH:20]2)[S:11]1.[CH3:56][CH2:57][OH:58].[Na+:37].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:36].[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55]>>[CH2:3]([C:4](=[O:5])[OH:6])[CH:7]1[CH2:8][N:9]=[C:10]([c:12]2[nH:13][c:14]3[c:15]([N:26]([S:27](=[O:28])(=[O:29])[c:30]4[s:31][cH:32][cH:33][cH:34]4)[CH3:35])[cH:16][c:17]([O:21][CH2:22][CH2:23][O:24][CH3:25])[cH:18][c:19]3[cH:20]2)[S:11]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 178454665HCID 178454665, compound

Product 1

HCID 68460040(2-{5-(2-methoxyethoxy)-7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)acetic acid

Sources & evidence

ORD record
ord-8b74128183714911ae9dcbc063ded46e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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