Acetate → HCID 136368403, compound

HRID 1238403Notes

Reaction equation

HRID 1238403 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([CH2:11][CH2:12][CH2:13][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[nH:8][c:9]2=[O:10])[n:21][cH:22]1.[C:56]([O:57][CH:58]([CH3:59])[CH3:60])(=[O:61])[CH3:62].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[CH:23]1([B:26]([OH:27])[OH:28])[CH2:24][CH2:25]1.[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[K+:34].[K+:35].[K+:36].[O-:73][C:74]([CH3:75])=[O:76].[O-:77][C:78]([CH3:79])=[O:80].[OH2:63].[OH2:71].[P:29]([O-:30])([O-:31])([O-:32])=[O:33].[Pd+2:72]>>[c:2]1([CH:23]2[CH2:24][CH2:25]2)[cH:3][c:4]2[c:5]([n:6][c:7]([CH2:11][CH2:12][CH2:13][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[nH:8][c:9]2=[O:10])[n:21][cH:22]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962Water2×HCID 1061PhosphateHCID 1140TolueneHCID 7915Isopropyl AcetateHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 135899296HCID 135899296, compound

Product 1

HCID 136368403HCID 136368403, compound

Sources & evidence

ORD record
ord-2394409dd6704011bcddeaf71eb3430a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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