Chloride → 4'-(chloromethyl)-[1,1'-Biphenyl]-2-carbonitrile

HRID 1150373Notes

Reaction equation

HRID 1150373 reaction equation
[CH3:19][CH2:20][O:21][C:22](=[O:23])[CH3:24].[Cl-:26].[Cl-:27].[Cl-:28].[Cl-:29].[Cl:15][CH2:16][O:17][CH3:18].[ClH:25].[OH2:31].[Ti+4:30].[c:1]1(-[c:7]2[c:8]([C:9]#[N:10])[cH:11][cH:12][cH:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[c:8]([C:9]#[N:10])[cH:11][cH:12][cH:13][cH:14]2)[cH:2][cH:3][c:4]([CH2:16][Cl:15])[cH:5][cH:6]1

Participants

8

Reactant 7

HCID 312Chloride4×HCID 313Hydrochloric AcidHCID 962WaterHCID 7864Chloromethyl Methyl EtherHCID 8857Ethyl AcetateHCID 114942Titanium cation (4+)HCID 141162(1,1'-Biphenyl)-2-carbonitrile

Product 1

HCID 217117564'-(chloromethyl)-[1,1'-Biphenyl]-2-carbonitrile

Sources & evidence

ORD record
ord-afc74e1431c245d6b9bf82e66ffa418c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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