Acetonitrile → HCID 178447264, compound

Reaction equation

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

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 79019Valinol

HCID 81531Diisopropylethylamine

HCID 1201546Rhodanine

Product 1

HCID 178447264HCID 178447264, compound

Sources & evidence

ORD record: ord-25bcad0eb5d941c2bfb85e03650bce17
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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