Chloride → 3-Fluoro-4-methylbiphenyl

HRID 117683

Reaction equation

HRID 117683 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:9])[c:5]([CH3:8])[cH:6][cH:7]1.[CH3:22][CH2:23][O:24][C:25](=[O:26])[CH3:27].[Cl-:28].[Cl-:30].[I:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[O:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1.[Zn+2:29].[cH:31]1[cH:32][cH:33][c:34]([P:35]([Pd:36]([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107]1>>[c:2]1(-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:3][c:4]([F:9])[c:5]([CH3:8])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 312Chloride2×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11575IodobenzeneHCID 32051Zinc(2+)HCID 1710404-Bromo-2-fluorotolueneHCID 178420554HCID 178420554, compound

Product 1

HCID 161275023-Fluoro-4-methylbiphenyl

Sources & evidence

ORD record
ord-6457ce92d7fd41d7bc13b9efaf65dd15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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