Acetone → 2-Ethoxy-5-[1-[4-(4-methylphenoxy)phenoxy]-ethyl]-1,3,4-thiadiazole

Reaction equation

[Br:22][CH:23]([CH3:24])[c:25]1[s:26][c:27]([O:30][CH2:31][CH3:32])[n:28][n:29]1.[C:16](=[O:17])([O-:18])[O-:19].[CH3:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([OH:13])[cH:11][cH:12]2)[cH:14][cH:15]1.[CH3:33][C:34](=[O:35])[CH3:36].[K+:20].[K+:21]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([O:13][CH:23]([CH3:24])[c:25]3[s:26][c:27]([O:30][CH2:31][CH3:32])[n:28][n:29]3)[cH:11][cH:12]2)[cH:14][cH:15]1

Participants

Reactant 5

HCID 180Acetone

HCID 813Potassium Cation2×

HCID 19660Carbonate Ion

HCID 6414404-(4-Methylphenoxy)phenol

HCID 146523742-(1-Bromoethyl)-5-ethoxy-1,3,4-thiadiazole

Product 1

HCID 142309302-Ethoxy-5-[1-[4-(4-methylphenoxy)phenoxy]-ethyl]-1,3,4-thiadiazole

Sources & evidence

ORD record: ord-50955b2964af46c0a905df78fd72b391
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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