Acetate → HCID 58368051, compound

HRID 2127673Notes

Reaction equation

HRID 2127673 reaction equation
[Br:15][c:16]1[cH:17][n:18][cH:19][n:20][cH:21]1.[C:22](=[O:23])([O-:24])[O-:25].[C:87]([O:88][CH2:89][CH3:90])(=[O:91])[CH3:92].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([CH:12]2[CH2:13][CH2:14]2)[cH:8][n:9][c:10]1[NH2:11].[CH3:70][c:71]1[c:72]([CH3:73])[cH:74][cH:75][cH:76][cH:77]1.[CH3:93][CH2:94][CH2:95][CH2:96][CH2:97][CH2:98][CH3:99].[K+:26].[K+:27].[O-:79][C:80]([CH3:81])=[O:82].[O-:83][C:84]([CH3:85])=[O:86].[OH2:100].[Pd+2:78].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[c:37]3[c:61]([cH:62][cH:63][cH:64]2)[C:58]([CH3:59])([CH3:60])[c:40]2[c:39]([c:44]([P:45]([c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[cH:43][cH:42][cH:41]2)[O:38]3)[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([CH:12]2[CH2:13][CH2:14]2)[cH:8][n:9][c:10]1[NH:11][c:16]1[cH:17][n:18][cH:19][n:20][cH:21]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 7237O-XyleneHCID 8857Ethyl AcetateHCID 8900HeptaneHCID 19660Carbonate IonHCID 783445-BromopyrimidineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 67299911HCID 67299911, compound

Product 1

HCID 58368051HCID 58368051, compound

Sources & evidence

ORD record
ord-4c1b509633ff4b739e8a2d49c3552272
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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