Hydrochloric Acid → N-(2-Hydroxy-2-methylpropyl)-2-{2-[5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}-7-(tetrahydro-2H-pyran-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetamide

HRID 172766Notes

Reaction equation

HRID 172766 reaction equation
[CH2:49]([N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58])[CH3:59].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:11][c:12]2[cH:13][c:14]3[cH:15][c:16]([C:28]4=[N:32][CH2:31][CH:30]([CH2:33][C:34](=[O:35])[OH:36])[S:29]4)[nH:17][c:18]3[c:19]([O:21][CH:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[cH:20]2)[cH:9][n:10]1.[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[ClH:48].[NH2:60][CH2:61][C:62]([CH3:63])([OH:64])[CH3:65].[OH2:37].[OH2:71].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:11][c:12]2[cH:13][c:14]3[cH:15][c:16]([C:28]4=[N:32][CH2:31][CH:30]([CH2:33][C:34](=[O:36])[NH:60][CH2:61][C:62]([CH3:63])([OH:64])[CH3:65])[S:29]4)[nH:17][c:18]3[c:19]([O:21][CH:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[cH:20]2)[cH:9][n:10]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962Water2×HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 951022-Propanol, 1-amino-2-methyl-HCID 58081027(2-[5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}-7-(tetrahydro-2H-pyran-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetic acid

Product 1

HCID 66726331N-(2-Hydroxy-2-methylpropyl)-2-{2-[5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}-7-(tetrahydro-2H-pyran-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetamide

Sources & evidence

ORD record
ord-000b8a409c354ec39eced3f9b0dc5338
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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