Chloride → 6-Chloro-1-(2-chloroethyl)isochroman

HRID 313590

Reaction equation

HRID 313590 reaction equation
[CH2:11]([O:12][CH:14]([O:13][CH2:18][CH3:19])[CH2:15][CH2:16][Cl:17])[CH3:20].[Cl-:22].[Cl-:23].[Cl-:24].[Cl-:25].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][CH2:6][OH:7])[cH:8][cH:9][cH:10]1.[ClH:21].[N+:27]([CH3:28])([O-:29])=[O:30].[Ti+4:26]>>[Cl:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[CH:14]([CH2:15][CH2:16][Cl:17])[O:7][CH2:6][CH2:5]2

Participants

7

Reactant 6

HCID 312Chloride4×HCID 313Hydrochloric AcidHCID 6375NitromethaneHCID 78856m-Chlorophenethylic alcoholHCID 962173-Chloro-1,1-diethoxypropaneHCID 114942Titanium cation (4+)

Product 1

HCID 232887876-Chloro-1-(2-chloroethyl)isochroman

Sources & evidence

ORD record
ord-a1eeae7bd19045d0978f7f54de4e3113
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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