Water → Ethyl 2-{4-[({4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)-sulfanyl]phenoxy}-2-methylpropanoate

HRID 1137953Notes

Reaction equation

HRID 1137953 reaction equation
[C:50]([O:51][CH:52]([CH3:53])[CH3:54])(=[O:55])[CH3:56].[CH3:58][O:59][CH2:60][CH2:61][O:62][CH3:63].[Cl:21][Si:22]([Cl:23])([CH3:24])[CH3:25].[Cl:2][S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([O:10][C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20]1.[OH2:1].[OH:31][CH2:32][c:33]1[c:34]([CH2:48][OH:49])[n:35][c:36](-[c:38]2[cH:39][cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][cH:43]2)[s:37]1.[S:26]([Cl:27])([Cl:28])(=[O:29])=[O:30].[Zn:57]>>[S:3]([c:6]1[cH:7][cH:8][c:9]([O:10][C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20]1)[CH2:32][c:33]1[c:34]([CH2:48][OH:49])[n:35][c:36](-[c:38]2[cH:39][cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][cH:43]2)[s:37]1

Participants

9

Reactant 8

HCID 962WaterHCID 6398DichlorodimethylsilaneHCID 7915Isopropyl AcetateHCID 80711,2-DimethoxyethaneHCID 23994ZincHCID 24648Sulfuryl chlorideHCID 11974006(2-(4-(Trifluoromethyl)phenyl)thiazole-4,5-diyl)dimethanolHCID 17951805Ethyl 2-[4-(chlorosulfonyl)phenoxy]-2-methylpropanoate

Product 1

HCID 11975785Ethyl 2-{4-[({4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)-sulfanyl]phenoxy}-2-methylpropanoate

Sources & evidence

ORD record
ord-78727457f72147e0a3af3c2f3ff9beb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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