Ethanol → 3-(5-Isopropyl-2,4-bis-methoxymethoxyphenyl)-4-[4-(4-methylpiperazin-1-ylmethyl)phenyl]-5-methylsulfanyl-[1,2,4]triazole

HRID 142831Notes

Reaction equation

HRID 142831 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH3:44][CH2:45][OH:46].[CH3:47][I:48].[CH3:49][CH2:50][O:51][CH2:52][CH3:53].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:34][CH2:35][O:36][CH3:37])[cH:6][c:7]([O:30][CH2:31][O:32][CH3:33])[c:8](-[c:10]2[n:11](-[c:16]3[cH:17][cH:18][c:19]([CH2:22][N:23]4[CH2:24][CH2:25][N:26]([CH3:29])[CH2:27][CH2:28]4)[cH:20][cH:21]3)[c:12](=[S:15])[nH:13][n:14]2)[cH:9]1.[K+:42].[K+:43]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:34][CH2:35][O:36][CH3:37])[cH:6][c:7]([O:30][CH2:31][O:32][CH3:33])[c:8](-[c:10]2[n:11](-[c:16]3[cH:17][cH:18][c:19]([CH2:22][N:23]4[CH2:24][CH2:25][N:26]([CH3:29])[CH2:27][CH2:28]4)[cH:20][cH:21]3)[c:12]([S:15][CH3:38])[n:13][n:14]2)[cH:9]1

Participants

7

Reactant 6

HCID 702EthanolHCID 813Potassium Cation2×HCID 3283Diethyl EtherHCID 6328Methyl iodideHCID 19660Carbonate IonHCID 598298725-(5-Isopropyl-2,4-bis-methoxymethoxyphenyl)-4-[4-(4-methylpiperazin-1-ylmethyl)phenyl]-2,4-dihydro-[1,2,4]triazol-3-thione

Product 1

HCID 598299083-(5-Isopropyl-2,4-bis-methoxymethoxyphenyl)-4-[4-(4-methylpiperazin-1-ylmethyl)phenyl]-5-methylsulfanyl-[1,2,4]triazole

Sources & evidence

ORD record
ord-e2ac299e233f4889913ac3df3a7ab5d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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