Hydrochloric Acid → {2-[5-{[5-(Methylsulfonyl)pyridin-2-yl]oxy}-7-(tetrahydro-2H-pyran-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetic acid

HRID 192804Notes

Reaction equation

HRID 192804 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]([O:32][CH:33]4[CH2:34][CH2:35][O:36][CH2:37][CH2:38]4)[cH:16][c:17]([O:21][c:22]4[n:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]4)[cH:18][c:19]3[cH:20]2)[S:11]1.[CH3:41][CH2:42][OH:43].[ClH:44].[Na+:40].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:39].[OH2:45]>>[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]([O:32][CH:33]4[CH2:34][CH2:35][O:36][CH2:37][CH2:38]4)[cH:16][c:17]([O:21][c:22]4[n:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]4)[cH:18][c:19]3[cH:20]2)[S:11]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 178454662HCID 178454662, compound

Product 1

HCID 58081059{2-[5-{[5-(Methylsulfonyl)pyridin-2-yl]oxy}-7-(tetrahydro-2H-pyran-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetic acid

Sources & evidence

ORD record
ord-de633d10b7f54fcf9eb8e99c91fda68d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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