Methanol → 1-(4-methoxyphenyl)-4-{4-[3-(methylthio)4H-1,2,4-triazol-4-yl]phenyl}piperazine

Reaction equation

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][N:12]([c:15]3[cH:16][cH:17][c:18](-[n:21]4[c:22]([SH:26])[n:23][n:24][cH:25]4)[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:7][cH:8]1.[CH3:29][O:30][S:31]([O:32][CH3:33])(=[O:34])=[O:35].[CH3:36][OH:37].[Na+:28].[OH-:27]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][N:12]([c:15]3[cH:16][cH:17][c:18](-[n:21]4[c:22]([S:26][CH3:29])[n:23][n:24][cH:25]4)[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:7][cH:8]1

Participants

Reactant 5

HCID 887Methanol

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 6497Dimethyl Sulfate

HCID 1784919634-{4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl}-4H-1,2,4-triazole-3-thiol

Product 1

HCID 128770271-(4-methoxyphenyl)-4-{4-[3-(methylthio)4H-1,2,4-triazol-4-yl]phenyl}piperazine

Sources & evidence

ORD record: ord-388ddc2c9f85402b8a2a6e2ac48f8bfb
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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