Ammonium → 4-(2-tert-Butyl-5-nitro-phenyl)-but-3-enal

HRID 1208241Notes

Reaction equation

HRID 1208241 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([CH:14]=[CH:15][CH2:16][CH2:17][OH:18])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1.[CH3:25][S:26]([CH3:27])=[O:28].[Cl-:29].[Cl:19][C:20]([C:21]([Cl:22])=[O:23])=[O:24].[Cl:31][CH2:32][Cl:33].[NH4+:30].[OH2:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([CH:14]=[CH:15][CH2:16][CH:17]=[O:18])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 962WaterHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 66688391HCID 66688391, compound

Product 1

HCID 738566804-(2-tert-Butyl-5-nitro-phenyl)-but-3-enal

Sources & evidence

ORD record
ord-aaee382864ce46f78fb34519ff55a251
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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