Acetate → Methyl 3-acetamido-6-(3-methoxy-3-oxoprop-1-enyl)-2-nitrobenzoate

HRID 105967Notes

Reaction equation

HRID 105967 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([N+:16](=[O:17])[O-:18])[c:7]([C:8](=[O:9])[O:10][CH3:11])[c:12]([Br:15])[cH:13][cH:14]1.[C:38](=[O:39])([O-:40])[O-:41].[C:44]([CH:45]=[CH2:46])(=[O:47])[O:48][CH3:49].[C:56]([O-:57])(=[O:58])[CH3:59].[C:61]([O-:62])(=[O:63])[CH3:64].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[K+:42].[K+:43].[OH2:55].[Pd+2:60].[c:19]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([N+:16](=[O:17])[O-:18])[c:7]([C:8](=[O:9])[O:10][CH3:11])[c:12]([CH:46]=[CH:45][C:44](=[O:47])[O:48][CH3:49])[cH:13][cH:14]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 7294Methyl AcrylateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 11151255Methyl 3-acetylamino-6-bromo-2-nitrobenzoate

Product 1

HCID 68701223Methyl 3-acetamido-6-(3-methoxy-3-oxoprop-1-enyl)-2-nitrobenzoate

Sources & evidence

ORD record
ord-805c9aaaca2a4857acbde058b537cde4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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