Water → 6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-3-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-4-hydroxy-5,6-dihydro-2H-pyran-2-one

HRID 693270Notes

Reaction equation

HRID 693270 reaction equation
[CH3:26][n:27]1[c:28]([SH:33])[n:29][n:30][c:31]1[CH3:32].[Cl:1][CH:2]1[C:3](=[O:25])[O:4][C:5]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)([CH2:14][CH2:15][c:16]2[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[CH2:6][C:7]1=[O:8].[OH2:34].[OH2:46].[OH:35][c:36]1[n:37][cH:38][n:39][c:40]2[c:41]1[nH:42][c:43]([SH:44])[n:45]2>>[C:2]1([S:33][c:28]2[n:27]([CH3:26])[c:31]([CH3:32])[n:30][n:29]2)=[C:7]([OH:8])[CH2:6][C:5]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)([CH2:14][CH2:15][c:16]2[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[O:4][C:3]1=[O:25]

Participants

5

Reactant 4

HCID 962Water2×HCID 688674513-Chloro-6-[2-(3-chloro-4-methoxy-phenyl)-ethyl]-6-cyclopentyl-dihydro-pyran-2,4-dioneHCID 178434152HCID 178434152, compoundHCID 178518048HCID 178518048, compound

Product 1

HCID 587626326-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-3-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]-4-hydroxy-5,6-dihydro-2H-pyran-2-one

Sources & evidence

ORD record
ord-5912f360a0dc468a86ed44b1efb338a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…