Acetate → 1-(Ethoxycarbonyloxy)ethyl 5-(2,4-difluorophenyl)salicylate

HRID 202104Notes

Reaction equation

HRID 202104 reaction equation
[C:14]([c:15]1[c:16]([OH:17])[cH:18][cH:19][cH:20][cH:21]1)(=[O:22])[O:23][CH:24]([CH3:25])[O:26][C:27](=[O:28])[O:29][CH2:30][CH3:31].[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[C:8]1(=[O:9])[O:10][CH2:11][CH2:12][O:13]1.[CH3:4][C:5](=[O:6])[O-:7].[CH3:52][C:53](=[O:54])[OH:55].[Cl-:2].[F:32][c:33]1[cH:34][c:35]([F:39])[cH:36][cH:37][cH:38]1.[Na+:1].[Na+:3].[Na+:42].[O:40].[OH-:41].[Pd+2:47]>>[C:14]([c:15]1[c:16]([OH:17])[cH:18][cH:19][c:20](-[c:38]2[c:33]([F:32])[cH:34][c:35]([F:39])[cH:36][cH:37]2)[cH:21]1)(=[O:22])[O:23][CH:24]([CH3:25])[O:26][C:27](=[O:28])[O:29][CH2:30][CH3:31]

Participants

11

Reactant 10

HCID 175Acetate3×HCID 176Acetic AcidHCID 312ChlorideHCID 923Sodium ion3×HCID 961HydroxideHCID 962WaterHCID 7303Ethylene carbonateHCID 97411,3-DifluorobenzeneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 538260801-(Ethoxycarbonyloxy)ethyl salicylate

Product 1

HCID 134913951-(Ethoxycarbonyloxy)ethyl 5-(2,4-difluorophenyl)salicylate

Sources & evidence

ORD record
ord-b7d708ce64f9463e8e62a4cdfb21029b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…