Acetate → HCID 86607193, compound

HRID 306387Notes

Reaction equation

HRID 306387 reaction equation
[C:16](#[N:17])[CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23].[CH3:25][C:26](=[O:27])[O-:28].[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[CH3:35][C:36](=[O:37])[OH:38].[Cl:1][c:2]1[c:3]([CH:11]=[CH:12][C:13]([CH3:14])=[O:15])[cH:4][cH:5][c:6]([CH:8]([CH3:9])[CH3:10])[cH:7]1.[NH4+:24].[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[Cl:1][c:2]1[c:3]([CH:11]=[CH:12][C:13]([CH3:14])=[C:18]([C:16]#[N:17])[C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:4][cH:5][c:6]([CH:8]([CH3:9])[CH3:10])[cH:7]1

Participants

8

Reactant 7

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 241BenzeneHCID 7764Ethyl cyanoacetateHCID 8857Ethyl AcetateHCID 68832755HCID 68832755, compound

Product 1

HCID 86607193HCID 86607193, compound

Sources & evidence

ORD record
ord-733235ebeae84bccb94ba98746bbf284
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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