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

HRID 206018Notes

Reaction equation

HRID 206018 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:21]([S:22](=[O:23])(=[O:24])[c:25]4[c:26]([C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29][cH:30]4)[CH3:35])[cH:16][cH:17][cH:18][c:19]3[cH:20]2)[S:11]1.[K+:37].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH-:36].[OH:38][C:39]([CH2:40][C:41]([C:42](=[O:43])[OH:44])([CH2:45][C:46](=[O:47])[OH:48])[OH:49])=[O:50]>>[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:21]([S:22](=[O:23])(=[O:24])[c:25]4[c:26]([C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29][cH:30]4)[CH3:35])[cH:16][cH:17][cH:18][c:19]3[cH:20]2)[S:11]1

Participants

6

Reactant 5

HCID 311Citric AcidHCID 813Potassium CationHCID 961HydroxideHCID 8028TetrahydrofuranHCID 178454652HCID 178454652, compound

Product 1

HCID 59136131{2-[7-(methyl{[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetic acid

Sources & evidence

ORD record
ord-1a0821afa78e413080362a4050c95764
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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