Acetonitrile → HCID 15029321, compound

HRID 303948

Reaction equation

[CH2:42]([Cl:43])[Cl:44].[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:1][CH:2]1[CH2:3][C:4](=[O:9])[CH2:5][C:6](=[O:8])[CH2:7]1.[CH3:36][C:37]([CH3:38])([OH:39])[C:40]#[N:41].[CH3:45][C:46]#[N:47].[Cl:17][c:18]1[c:19]([C:20](=[O:21])[Cl:22])[cH:23][cH:24][c:25]([O:27][S:28](=[O:29])(=[O:30])[CH3:31])[cH:26]1.[S:32]([Cl:33])([Cl:34])=[O:35]>>[CH3:1][CH:2]1[CH2:3][C:4](=[O:9])[CH:5]([C:20]([c:19]2[c:18]([Cl:17])[cH:26][c:25]([O:27][S:28](=[O:29])(=[O:30])[CH3:31])[cH:24][cH:23]2)=[O:21])[C:6](=[O:8])[CH2:7]1

Participants

Reactant 7

HCID 6342Acetonitrile

HCID 6344Dichloromethane

HCID 6406Acetone Cyanohydrin

HCID 8471Triethylamine

HCID 24386Thionyl Chloride

HCID 4580955-Methylcyclohexane-1,3-dione

HCID 18979827HCID 18979827, compound

Product 1

HCID 15029321HCID 15029321, compound

Sources & evidence

ORD record: ord-40ee0154c580498faecd54e8ef9b1a8a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Linked notes

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