Acetic Acid → HCID 88796779, compound

HRID 2138169Notes

Reaction equation

HRID 2138169 reaction equation
[CH2:16]([O:17][C:18](=[O:19])[CH:20]([CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[C:28]#[N:29])[CH3:30].[CH3:40][C:41](=[O:42])[OH:43].[CH3:44][CH2:45][OH:46].[ClH:15].[K+:32].[N:1]([O-:2])=[O:3].[NH2:5][c:6]1[cH:7][cH:8][c:9]([N+:12]([O-:13])=[O:14])[cH:10][cH:11]1.[Na+:4].[OH-:31].[OH2:33].[cH:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[N:1]([NH:5][c:6]1[cH:7][cH:8][c:9]([N+:12]([O-:13])=[O:14])[cH:10][cH:11]1)=[C:20]([CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[C:28]#[N:29]

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 241BenzeneHCID 313Hydrochloric AcidHCID 702EthanolHCID 813Potassium CationHCID 923Sodium ionHCID 946NitriteHCID 961HydroxideHCID 962WaterHCID 74754-NitroanilineHCID 228103Ethyl 2-cyano-3-phenylpropanoate

Product 1

HCID 88796779HCID 88796779, compound

Sources & evidence

ORD record
ord-8d1cfc4fdb704a6ca46c1983a27fbfaf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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