1,2-Dichloroethane → HCID 10829037, compound

HRID 148865Notes

Reaction equation

[CH3:7][C:8]1=[C:9]([CH2:18][C:19](=[CH2:20])[CH3:21])[C:10](=[O:17])[C:11]([CH3:16])=[C:12]([CH3:15])[C:13]1=[O:14].[Cl-:34].[Cl-:35].[Cl-:36].[Cl-:37].[Cl:22][c:23]1[cH:24][cH:25][c:26]([NH2:27])[cH:28][cH:29]1.[Cl:30][CH2:31][CH2:32][Cl:33].[Ti+4:38].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[CH3:7][C:8]1=[C:9]([CH2:18][C:19](=[CH2:20])[CH3:21])[C:10](=[O:17])[C:11]([CH3:16])=[C:12]([CH3:15])[C:13]1=[N:27][c:26]1[cH:25][cH:24][c:23]([Cl:22])[cH:29][cH:28]1

Participants

Reactant 6

HCID 111,2-Dichloroethane

HCID 312Chloride4×

HCID 1049Pyridine

HCID 78124-Chloroaniline

HCID 114942Titanium cation (4+)

HCID 3188402,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

Product 1

HCID 10829037HCID 10829037, compound

Sources & evidence

ORD record: ord-45d8d8975b1d4632b1cc344212aaae18
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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