Acetate → HCID 59224675, compound

HRID 296123Notes

Reaction equation

HRID 296123 reaction equation
[C:29](=[O:30])([OH:31])[O-:32].[C:62]([O-:63])(=[O:64])[CH3:65].[C:67]([O-:68])(=[O:69])[CH3:70].[CH3:34][O:35][C:36]([c:37]1[c:38]([O:53][CH3:54])[cH:39][c:40]([CH3:52])[c:41]([B:43]2[O:44][C:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[O:51]2)[cH:42]1)=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:71][O:72][CH2:73][CH2:74][O:75][CH3:76].[NH2:1][c:2]1[n:3][c:4]([Cl:9])[cH:5][c:6]([Cl:8])[n:7]1.[Na+:33].[OH2:77].[Pd+2:66].[c:10]1([P:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[NH2:1][c:2]1[n:3][c:4](-[c:41]2[c:40]([CH3:52])[cH:39][c:38]([O:53][CH3:54])[c:37]([C:36]([O:35][CH3:34])=[O:55])[cH:42]2)[cH:5][c:6]([Cl:8])[n:7]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 655222-Amino-4,6-dichloropyrimidineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 59224652Methyl 2-methoxy-4-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Product 1

HCID 59224675HCID 59224675, compound

Sources & evidence

ORD record
ord-7a6ff8fca6fd4352a25a3d25922f8ea1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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