Acetate → HCID 23141558, compound

HRID 1544744Notes

Reaction equation

HRID 1544744 reaction equation
[B-:43]([F:44])([F:45])([F:46])[F:47].[Br:1][c:2]1[cH:3][c:4]([CH:18]2[CH2:19][CH2:20][C:21]([CH3:24])([CH3:25])[CH2:22][CH2:23]2)[c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][CH3:17])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[C:48]([PH+:49]([C:50]([CH3:51])([CH3:52])[CH3:53])[C:54]([CH3:55])([CH3:56])[CH3:57])([CH3:58])([CH3:59])[CH3:60].[CH3:27][O:28][CH:29]1[CH2:30][NH:31][CH2:32][CH2:33][CH2:34]1.[ClH:26].[K+:40].[K+:41].[K+:42].[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[P:35]([O-:36])([O-:37])([O-:38])=[O:39].[Pd+2:61].[c:70]1([CH3:71])[c:72]([CH3:73])[cH:74][cH:75][cH:76][cH:77]1>>[c:2]1([N:31]2[CH2:30][CH:29]([O:28][CH3:27])[CH2:34][CH2:33][CH2:32]2)[cH:3][c:4]([CH:18]2[CH2:19][CH2:20][C:21]([CH3:24])([CH3:25])[CH2:22][CH2:23]2)[c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][CH3:17])[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 1061PhosphateHCID 7237O-XyleneHCID 26255TetrafluoroborateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 4060964Tri-t-butylphosphoniumHCID 43417443-MethoxypiperidineHCID 231417381-[4-Bromo-2-(4,4-dimethylcyclohexyl)phenyl]-4-butylpiperazine

Product 1

HCID 23141558HCID 23141558, compound

Sources & evidence

ORD record
ord-5e2f92c554a74e708f80f7be538df167
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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