Acetate → HCID 16097736, compound

HRID 184705Notes

Reaction equation

HRID 184705 reaction equation
[Br:1][c:2]1[c:3](=[O:17])[n:4](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[n:5]([CH3:10])[c:6]1[CH:7]1[CH2:8][CH2:9]1.[C:58]([O-:59])(=[O:60])[CH3:61].[C:63]([O-:64])(=[O:65])[CH3:66].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH:18]1([B:21]([OH:22])[OH:23])[CH2:19][CH2:20]1.[CH:32]1([P:33]([CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[K+:29].[K+:30].[K+:31].[OH2:51].[OH2:67].[P:24]([O-:25])([O-:26])([O-:27])=[O:28].[Pd+2:62]>>[c:2]1([CH:18]2[CH2:19][CH2:20]2)[c:3](=[O:17])[n:4](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[n:5]([CH3:10])[c:6]1[CH:7]1[CH2:8][CH2:9]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962Water2×HCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 68676898HCID 68676898, compound

Product 1

HCID 16097736HCID 16097736, compound

Sources & evidence

ORD record
ord-d45d84ffe7c84d0f84584086d6373ec9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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