Acetonitrile → HCID 21330771, compound

HRID 688850Notes

Reaction equation

HRID 688850 reaction equation
[CH3:15][N:16]=[C:17]=[S:18].[CH3:19][C:20]#[N:21].[o:1]1[c:2]([CH:6]2[NH:7][CH2:8][CH2:9][c:10]3[c:11]2[n:12][cH:13][nH:14]3)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2]([CH:6]2[N:7]([C:17]([NH:16][CH3:15])=[S:18])[CH2:8][CH2:9][c:10]3[c:11]2[n:12][cH:13][nH:14]3)[cH:3][cH:4][cH:5]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 11167Methyl isothiocyanateHCID 21330731HCID 21330731, compound

Product 1

HCID 21330771HCID 21330771, compound

Sources & evidence

ORD record
ord-ffa8c3fba19b4c2888871bf3fb48ee9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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