Acetate → 2-(2,4-Dichlorophenyl)-butendioic acid diethyl ester

HRID 691599Notes

Reaction equation

HRID 691599 reaction equation
[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH2:2]([Br:3])[CH3:4].[CH2:46]([O:47][CH2:48][CH3:49])[CH3:50].[Cl-:57].[Cl-:59].[Cl:5][c:6]1[cH:7][c:8]([Cl:13])[c:9]([I:12])[cH:10][cH:11]1.[ClH:56].[I:33][C:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])=[CH:40][C:41](=[O:42])[O:43][CH2:44][CH3:45].[Mg:1].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[Pd+2:64].[Zn+2:58].[c:14]1([P:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[Cl:5][c:6]1[cH:7][c:8]([Cl:13])[c:9]([C:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])=[CH:40][C:41](=[O:42])[O:43][CH2:44][CH3:45])[cH:10][cH:11]1

Participants

13

Reactant 12

HCID 175Acetate2×HCID 312Chloride2×HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 6332Ethyl BromideHCID 11776TriphenylphosphineHCID 32051Zinc(2+)HCID 968642,4-Dichloro-1-iodobenzeneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 181578Diethyl 2-iodobut-2-enedioateHCID 5462224Magnesium

Product 1

HCID 536848672-(2,4-Dichlorophenyl)-butendioic acid diethyl ester

Sources & evidence

ORD record
ord-8a35601ce55743d7a84330ddd98893d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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