Acetate → Methyl 2-acetamido-5-chlorocinnamate

HRID 92540Notes

Reaction equation

HRID 92540 reaction equation
[C:24]([CH:25]=[CH2:26])(=[O:27])[O:28][CH3:29].[C:49]([O-:50])(=[O:51])[CH3:52].[C:54]([O-:55])(=[O:56])[CH3:57].[C:7]([CH3:8])(=[O:9])[NH:10][c:11]1[c:12]([I:18])[cH:13][c:14]([Cl:17])[cH:15][cH:16]1.[CH2:1]([O:2][CH2:3][CH2:4][OH:5])[CH3:6].[CH3:20][C:21](=[O:22])[O-:23].[K+:19].[OH2:58].[Pd+2:53].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[C:7]([CH3:8])(=[O:9])[NH:10][c:11]1[c:12]([CH:26]=[CH:25][C:24](=[O:27])[O:28][CH3:29])[cH:13][c:14]([Cl:17])[cH:15][cH:16]1

Participants

9

Reactant 8

HCID 175Acetate3×HCID 813Potassium CationHCID 962WaterHCID 7294Methyl AcrylateHCID 8076Glycol monoethyl etherHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 15113903N-(4-chloro-2-iodophenyl)acetamide

Product 1

HCID 54287744Methyl 2-acetamido-5-chlorocinnamate

Sources & evidence

ORD record
ord-e30acba4d5a24754a7daf3ad0187b830
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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