Water → Methyl 5-({6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-2-oxo-5,6-dihydro-2H-pyran-3-yl}thio)-4-methyl-4H-1,2,4-triazole-3-carboxylate

HRID 2321670Notes

Reaction equation

HRID 2321670 reaction equation
[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].[OH2:37].[OH:38][c:39]1[n:40][cH:41][n:42][c:43]2[c:44]1[nH:45][c:46]([SH:47])[n:48]2.[SH:26][c:27]1[n:28]([CH3:36])[c:29]([C:32](=[O:33])[O:34][CH3:35])[n:30][n:31]1>>[C:2]1([S:26][c:27]2[n:28]([CH3:36])[c:29]([C:32](=[O:33])[O:34][CH3:35])[n:30][n:31]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 962WaterHCID 688674513-Chloro-6-[2-(3-chloro-4-methoxy-phenyl)-ethyl]-6-cyclopentyl-dihydro-pyran-2,4-dioneHCID 178499171HCID 178499171, compoundHCID 178518048HCID 178518048, compound

Product 1

HCID 58762234Methyl 5-({6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-2-oxo-5,6-dihydro-2H-pyran-3-yl}thio)-4-methyl-4H-1,2,4-triazole-3-carboxylate

Sources & evidence

ORD record
ord-544332a640dc4dbcb57b2dc938a5064f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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