Acetonitrile → HCID 68454220, compound

Reaction equation

[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7][c:8]([Cl:12])[c:9]2[cH:10][cH:11]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:31][C:32]#[N:33].[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[CH:13]([CH3:14])([CH3:15])[NH:16][C:17](=[O:18])[CH:19]1[NH:20][CH:21]([CH3:24])[CH2:22][CH2:23]1.[Cs+:29].[Cs+:30]>>[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7][c:8]([N:20]3[CH:19]([C:17]([NH:16][CH:13]([CH3:14])[CH3:15])=[O:18])[CH2:23][CH2:22][CH:21]3[CH3:24])[c:9]2[cH:10][cH:11]1

Participants

Reactant 6

HCID 6342Acetonitrile

HCID 8857Ethyl Acetate

HCID 19660Carbonate Ion

HCID 104967Cesium cation2×

HCID 220304246-Bromo-1-chlorophthalazine

HCID 68455342HCID 68455342, compound

Product 1

HCID 68454220HCID 68454220, compound

Sources & evidence

ORD record: ord-ef5e813dfb044fb89aea86b1ef326fb9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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