Chloride → 1,3,4-Thiadiazole-2-carbonitrile, 5-(methylthio)-

Reaction equation

[C:19]([Cl:20])([Cl:21])([Cl:22])[Cl:23].[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:1][S:2][c:3]1[n:4][n:5][c:6]([C:8](=[O:9])[NH2:10])[s:7]1.[Cl-:29].[Cl-:30].[Cl-:31].[Cl-:32].[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1.[OH2:18].[Ti+4:33]>>[CH3:1][S:2][c:3]1[n:4][n:5][c:6]([C:8]#[N:10])[s:7]1

Participants

Reactant 7

HCID 312Chloride4×

HCID 962Water

HCID 5943Carbon Tetrachloride

HCID 8028Tetrahydrofuran

HCID 8471Triethylamine

HCID 114942Titanium cation (4+)

HCID 13566351HCID 13566351, compound

Product 1

HCID 112406301,3,4-Thiadiazole-2-carbonitrile, 5-(methylthio)-

Sources & evidence

ORD record: ord-d4374f9ad2d54ac19a03f423aaffe91e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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