Acetate → HCID 66905562, compound

HRID 685413Notes

Reaction equation

HRID 685413 reaction equation
[C:17](#[N:18])[c:19]1[cH:20][cH:21][c:22]([B:25]([OH:26])[OH:27])[cH:23][cH:24]1.[CH:28]1([P:29]([CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2-[c:42]2[c:43]([O:44][CH3:45])[cH:46][cH:47][cH:48][c:49]2[O:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[CH:65]([OH:66])([CH3:67])[CH3:68].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH:11]([OH:14])[CH2:12][CH2:13]3)[s:8]2)[cH:15][cH:16]1.[K+:62].[K+:63].[K+:64].[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[P:57]([O-:58])([O-:59])([O-:60])=[O:61].[Pd+2:76].[c:69]1([CH3:70])[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[c:2]1(-[c:22]2[cH:21][cH:20][c:19]([C:17]#[N:18])[cH:24][cH:23]2)[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH:11]([OH:14])[CH2:12][CH2:13]3)[s:8]2)[cH:15][cH:16]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 1140TolueneHCID 3776IsopropanolHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343264-Cyanophenylboronic acidHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 66905521HCID 66905521, compound

Product 1

HCID 66905562HCID 66905562, compound

Sources & evidence

ORD record
ord-f0d22bf98694420f8dddcbca5e203084
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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