Calcium Cation → 6-Isothiocyanato-2,4-dimethylnicotinonitrile

HRID 688682

Reaction equation

HRID 688682 reaction equation
[C:12](=[O:13])([O-:14])[O-:15].[Ca+2:16].[Cl:18][C:19]([Cl:20])=[S:21].[Cl:22][CH2:23][Cl:24].[NH2:1][c:2]1[cH:3][c:4]([CH3:11])[c:5]([C:9]#[N:10])[c:6]([CH3:8])[n:7]1.[OH2:17]>>[N:1]([c:2]1[cH:3][c:4]([CH3:11])[c:5]([C:9]#[N:10])[c:6]([CH3:8])[n:7]1)=[C:19]=[S:21]

Participants

7

Sources & evidence

ORD record
ord-ad88665a135b469e95b3f15785d202db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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