Acetonitrile → HCID 178429647, compound

HRID 2331996Notes

Reaction equation

[CH3:1][c:2]1[c:3]([CH2:7][NH2:8])[s:4][cH:5][cH:6]1.[CH3:25][C:26]#[N:27].[CH:16]([N:17]([CH:18]([CH3:19])[CH3:20])[CH2:21][CH3:22])([CH3:23])[CH3:24].[S:9]1[C:10](=[S:11])[NH:12][C:13](=[O:14])[CH2:15]1>>[CH3:1][c:2]1[c:3]([CH2:7][NH:8][C:10]2=[N:12][C:13](=[O:14])[CH2:15][S:9]2)[s:4][cH:5][cH:6]1

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 81531Diisopropylethylamine

HCID 1201546Rhodanine

HCID 2798756(3-Methylthiophen-2-yl)methanamine

Product 1

HCID 178429647HCID 178429647, compound

Sources & evidence

ORD record: ord-9b99f1c8a78a4e3d8adc295e334562f3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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