Acetate → HCID 10004727, compound

HRID 2141391Notes

Reaction equation

HRID 2141391 reaction equation
[C:87](=[O:88])([O-:89])[O-:90].[CH:34]([CH3:35])([CH3:36])[NH:37][CH2:38][CH2:39][NH2:40].[Cs+:91].[Cs+:92].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9](-[c:25]2[c:26]([Cl:31])[cH:27][cH:28][cH:29][cH:30]2)[c:10]2[cH:11][cH:12][c:13](=[O:24])[n:14](-[c:17]3[c:18]([Cl:23])[cH:19][cH:20][cH:21][cH:22]3)[c:15]2[cH:16]1)(=[O:32])=[O:33].[O-:100][C:101]([CH3:102])=[O:103].[O-:104][C:105]([CH3:106])=[O:107].[O:93]1[CH2:94][CH2:95][O:96][CH2:97][CH2:98]1.[Pd+2:99].[cH:41]1[cH:42][cH:43][c:44]([P:45]([c:46]2[cH:47][cH:48][c:49]3[c:50]([cH:51][cH:52][cH:53][cH:54]3)[c:55]2-[c:56]2[c:57]3[c:58]([cH:59][cH:60][cH:61][cH:62]3)[cH:63][cH:64][c:65]2[P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86]1>>[c:7]1([NH:40][CH2:39][CH2:38][NH:37][CH:34]([CH3:35])[CH3:36])[cH:8][c:9](-[c:25]2[c:26]([Cl:31])[cH:27][cH:28][cH:29][cH:30]2)[c:10]2[cH:11][cH:12][c:13](=[O:24])[n:14](-[c:17]3[c:18]([Cl:23])[cH:19][cH:20][cH:21][cH:22]3)[c:15]2[cH:16]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 88098N-IsopropylethylenediamineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 57722974HCID 57722974, compound

Product 1

HCID 10004727HCID 10004727, compound

Sources & evidence

ORD record
ord-e036859f8561490cb7d4576eb8212865
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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