Acetate → HCID 57484710, compound

HRID 1558101Notes

Reaction equation

HRID 1558101 reaction equation
[Br:1][c:2]1[c:3]([O:10][CH3:11])[cH:4][cH:5][c:6]([C:8]#[N:9])[n:7]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH:12]1([P:13]([CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[CH:25]2[CH2:16][CH2:15][CH2:14][CH2:29][CH2:30]2)[CH2:23][CH2:24][CH2:26][CH2:27][CH2:28]1.[K+:36].[K+:37].[K+:38].[O-:48][C:49]([CH3:50])=[O:51].[O-:52][C:53]([CH3:54])=[O:55].[OH2:46].[P:31]([O-:32])([O-:33])([O-:34])=[O:35].[Pd+2:47]>>[c:2]1([CH:29]2[CH2:25][CH2:30]2)[c:3]([O:10][CH3:11])[cH:4][cH:5][c:6]([C:8]#[N:9])[n:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 574847096-Bromo-5-methoxy-2-pyridinecarbonitrile

Product 1

HCID 57484710HCID 57484710, compound

Sources & evidence

ORD record
ord-18bbb0abf21745be8060201dcb4ad297
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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