Ethanol → 5-(5-[(3-chloropropyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylquinoline

Reaction equation

[Br:19][CH2:20][CH2:21][CH2:22][Cl:23].[CH3:1][n:2]1[c:3](=[S:18])[nH:4][n:5][c:6]1-[c:7]1[c:8]2[cH:9][cH:10][c:11]([CH3:17])[n:12][c:13]2[cH:14][cH:15][cH:16]1.[CH3:26][CH2:27][OH:28].[H-:24].[Na+:25]>>[CH3:1][n:2]1[c:3]([S:18][CH2:20][CH2:21][CH2:22][Cl:23])[n:4][n:5][c:6]1-[c:7]1[c:8]2[cH:9][cH:10][c:11]([CH3:17])[n:12][c:13]2[cH:14][cH:15][cH:16]1

Participants

Reactant 5

HCID 702Ethanol

HCID 923Sodium Ion

HCID 80061-Bromo-3-chloropropane

HCID 166653Hydride

HCID 446275704-methyl-5-(2-methyl-5-quinolinyl)-4H-1,2,4-triazole-3-thiol

Product 1

HCID 251050505-(5-[(3-chloropropyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylquinoline

Sources & evidence

ORD record: ord-b6683866a72043ba990b3a7c3d5ae073
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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