Acetate → Methyl 4-[2-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-difluoromethyl]phenyl]methyl]-1-(4-fluorophenyl)-1-oxo-5-phenylpent-4-en-2-yl]benzoate

HRID 1219346Notes

Reaction equation

HRID 1219346 reaction equation
[Br:36][CH2:37][c:38]1[cH:39][cH:40][c:41]([C:44]([F:45])([F:46])[P:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])([O:53][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:58])[cH:42][cH:43]1.[CH2:65]([N+:66]([CH2:67][CH2:68][CH2:69][CH3:70])([CH2:71][CH2:72][CH2:73][CH3:74])[CH2:75][CH2:76][CH2:77][CH3:78])[CH2:79][CH2:80][CH3:81].[CH2:82]1[O:83][CH2:84][CH2:85][CH2:86]1.[CH3:30][C:31]([CH3:32])([O-:33])[CH3:34].[CH3:60][C:61](=[O:62])[O-:63].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]([CH2:9][CH:10]=[CH:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27]2)[cH:28][cH:29]1.[I-:64].[K+:35].[NH4+:59]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[C:8]([CH2:9][CH:10]=[CH:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)([c:18]2[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27]2)[CH2:37][c:38]2[cH:39][cH:40][c:41]([C:44]([F:45])([F:46])[P:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])([O:53][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:58])[cH:42][cH:43]2)[cH:28][cH:29]1

Participants

10

Reactant 9

HCID 175AcetateHCID 223AmmoniumHCID 813Potassium CationHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 30165Iodide IonHCID 45749132-Methylpropan-2-olateHCID 15922636Di(tert-butyl) [4-(bromomethyl)phenyl](difluoro)methylphosphonateHCID 70010353Methyl 4-[1-(4-fluorophenyl)-1-oxo-5-phenylpent-4-en-2-yl]benzoate

Product 1

HCID 90997319Methyl 4-[2-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-difluoromethyl]phenyl]methyl]-1-(4-fluorophenyl)-1-oxo-5-phenylpent-4-en-2-yl]benzoate

Sources & evidence

ORD record
ord-4f35846a5efa4ba0aec77efc5af65598
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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