Acetate → HCID 59625710, compound

HRID 305583Notes

Reaction equation

HRID 305583 reaction equation
[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[CH:16]1([B:19]([OH:20])[OH:21])[CH2:17][CH2:18]1.[CH:22]1([P:23]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2-[c:36]2[c:37]([O:38][CH3:39])[cH:40][cH:41][cH:42][c:43]2[O:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[Cl:1][c:2]1[c:3]2[c:4]([s:5][c:6]1[C:7](=[O:8])[O:9][CH3:10])[cH:11][c:12]([F:15])[cH:13][cH:14]2.[K+:56].[K+:57].[K+:58].[O-:74][C:75]([CH3:76])=[O:77].[O-:78][C:79]([CH3:80])=[O:81].[OH2:72].[P:51]([O-:52])([O-:53])([O-:54])=[O:55].[Pd+2:73]>>[c:2]1([CH:16]2[CH2:17][CH2:18]2)[c:3]2[c:4]([s:5][c:6]1[C:7](=[O:8])[O:9][CH3:10])[cH:11][c:12]([F:15])[cH:13][cH:14]2

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 762658Methyl 3-chloro-6-fluoro-1-benzothiophene-2-carboxylateHCID 2760897Cyclopropylboronic acidHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl

Product 1

HCID 59625710HCID 59625710, compound

Sources & evidence

ORD record
ord-689f4cb81c1246b69546a340dfd20ffb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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