Acetate → 2-Cyano-3-(3-methylphenyl)-but-2-enoic acid ethyl ester

HRID 1240233

Reaction equation

HRID 1240233 reaction equation
[C:11](#[N:12])[CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18].[CH3:1][c:2]1[cH:3][c:4]([C:8]([CH3:9])=[O:10])[cH:5][cH:6][cH:7]1.[CH3:20][C:21](=[O:22])[O-:23].[CH3:24][CH2:25][O:26][C:27](=[O:28])[CH3:29].[CH3:30][C:31](=[O:32])[OH:33].[NH4+:19].[cH:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[CH3:1][c:2]1[cH:3][c:4]([C:8]([CH3:9])=[C:13]([C:11]#[N:12])[C:14](=[O:15])[O:16][CH2:17][CH3:18])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 241BenzeneHCID 7764Ethyl cyanoacetateHCID 8857Ethyl AcetateHCID 114553-Methylacetophenone

Product 1

HCID 2977862-Cyano-3-(3-methylphenyl)-but-2-enoic acid ethyl ester

Sources & evidence

ORD record
ord-e853e435872b4468860c2658ae650c84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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