Acetate → HCID 626238, compound

HRID 1219029Notes

Reaction equation

HRID 1219029 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH3:9])=[O:10])[cH:6][cH:7]1.[C:11](#[N:12])[CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18].[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>>[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH3:9])=[C:13]([C:11]#[N:12])[C:14](=[O:15])[O:16][CH2:17][CH3:18])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 241BenzeneHCID 7466p-BromoacetophenoneHCID 7764Ethyl cyanoacetateHCID 8857Ethyl Acetate

Product 1

HCID 626238HCID 626238, compound

Sources & evidence

ORD record
ord-2bb7433cd4e9478ca8ec6fc216787449
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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