Acetonitrile → Chloride

HRID 1562666Notes

Reaction equation

HRID 1562666 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[Cl:8].[CH2:9]([CH3:10])[C:11]1([CH3:35])[N:12]([O:22][C:23]([C:24](=[O:25])[NH:26][CH2:27][CH2:28][CH2:29][N:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34])[C:13]([CH3:19])([CH2:20][CH3:21])[CH2:14][CH:15]([OH:18])[CH:16]1[CH3:17].[CH3:36][C:37]#[N:38]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N+:30]([CH2:29][CH2:28][CH2:27][NH:26][C:24]([C:23]([O:22][N:12]1[C:11]([CH2:9][CH3:10])([CH3:35])[CH:16]([CH3:17])[CH:15]([OH:18])[CH2:14][C:13]1([CH3:19])[CH2:20][CH3:21])([CH3:33])[CH3:34])=[O:25])([CH3:31])[CH3:32].[Cl-:8]

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 7503Benzyl ChlorideHCID 57849395HCID 57849395, compound

Product 2

HCID 312ChlorideHCID 58003495HCID 58003495, compound

Sources & evidence

ORD record
ord-9b7737315dbc4c6db2522aa07f06afb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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