Sodium ion → 2-Mercapto-6-methylbenzonitrile

HRID 98738

Reaction equation

[CH3:11][S-:12].[CH3:14][N:15]1[CH2:16][CH2:17][CH2:18][C:19]1=[O:20].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([CH3:10])[cH:7][cH:8][cH:9]1.[Na+:13]>>[c:2]1([SH:12])[c:3]([C:4]#[N:5])[c:6]([CH3:10])[cH:7][cH:8][cH:9]1

Participants

Reactant 4

HCID 923Sodium ion

HCID 13387N-methyl-2-pyrrolidone

HCID 230532-Chloro-6-methylbenzonitrile

HCID 519392Mercaptomethanide

Product 1

HCID 162214682-Mercapto-6-methylbenzonitrile

Sources & evidence

ORD record: ord-64165562dae64220829128d4aa985cbf
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Linked notes

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