Acetone → 4-(4-Benzyloxy-phenoxy)-phthalonitrile

Reaction equation

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

Participants

Reactant 5

HCID 180Acetone

HCID 813Potassium Cation2×

HCID 7638Monobenzone

HCID 19660Carbonate Ion

HCID 974431,2-Benzenedicarbonitrile, 4-nitro-

Product 1

HCID 7466114-(4-Benzyloxy-phenoxy)-phthalonitrile

Sources & evidence

ORD record: ord-20784d8a15a9406695a1c08ab48bf044
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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