Acetate → HCID 23081427, compound

HRID 182333Notes

Reaction equation

HRID 182333 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:8][C:9]([F:10])([F:11])[F:12])[cH:6][cH:7]1.[C:46]([O-:47])(=[O:48])[CH3:49].[C:51]([O-:52])(=[O:53])[CH3:54].[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[NH2:13][CH:14]1[CH2:15][CH2:16][N:17]([CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:18][CH2:19]1.[Na+:32].[OH2:55].[Pd+2:50]>>[c:2]1([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:18][CH2:19]2)[cH:3][cH:4][c:5]([O:8][C:9]([F:10])([F:11])[F:12])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 4158521-Benzyl-4-piperidylamineHCID 5210081-Bromo-4-(trifluoromethoxy)benzeneHCID 45749132-Methylpropan-2-olate

Product 1

HCID 23081427HCID 23081427, compound

Sources & evidence

ORD record
ord-0644711cd4f84256a69aed1a1a06fd90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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