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

HRID 665179Notes

Reaction equation

HRID 665179 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]([NH:26][S:27](=[O:28])(=[O:29])[c:30]4[s:31][cH:32][cH:33][cH:34]4)[cH:16][c:17]([O:21][C:22]([F:23])([F:24])[F:25])[cH:18][c:19]3[cH:20]2)[S:11]1.[CH3:55][CH2:56][OH:57].[Na+:36].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH-:35].[OH:42][C:43]([CH2:44][C:45]([C:46](=[O:47])[OH:48])([CH2:49][C:50](=[O:51])[OH:52])[OH:53])=[O:54]>>[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]([NH:26][S:27](=[O:28])(=[O:29])[c:30]4[s:31][cH:32][cH:33][cH:34]4)[cH:16][c:17]([O:21][C:22]([F:23])([F:24])[F:25])[cH:18][c:19]3[cH:20]2)[S:11]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 178454667HCID 178454667, compound

Product 1

HCID 59135925{2-[7-[(2-thienylsulfonyl)amino]-5-(trifluoromethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetic acid

Sources & evidence

ORD record
ord-c68cc71e940145548a456b75ba767deb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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