Acetate → HCID 86657754, compound

HRID 104368Notes

Reaction equation

HRID 104368 reaction equation
[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[CH:35]1([B:38]([OH:39])[OH:40])[CH2:36][CH2:37]1.[CH:41]1([P:42]([CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[CH:49]2[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]2)[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1.[I:1][c:2]1[c:3](-[c:21]2[cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:4][cH:5][c:6]([C:8](=[O:9])[N:10]2[CH2:11][CH:12]([c:15]3[cH:16][n:17][cH:18][cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:7]1.[OH2:60].[Pd+2:78]>>[c:2]1([CH:35]2[CH2:36][CH2:37]2)[c:3](-[c:21]2[cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:4][cH:5][c:6]([C:8](=[O:9])[N:10]2[CH2:11][CH:12]([c:15]3[cH:16][n:17][cH:18][cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 86657755HCID 86657755, compound

Product 1

HCID 86657754HCID 86657754, compound

Sources & evidence

ORD record
ord-f3f6e4fd890a43259155564b00c73eca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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