Acetate → HCID 69677650, compound

HRID 2162348Notes

Reaction equation

HRID 2162348 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:53][CH:54]1[O:55][CH:56]([CH3:80])[CH2:57][N:58]([c:60]2[cH:61][cH:62][c:63](-[c:66]3[cH:67][cH:68][c:69]([O:72][S:73]([C:74]([F:75])([F:76])[F:77])(=[O:78])=[O:79])[cH:70][cH:71]3)[cH:64][cH:65]2)[CH2:59]1.[Cs+:5].[Cs+:6].[N:81]1([c:87]2[cH:88][cH:89][c:90]([C:91](=[O:92])[O:93][CH2:94][CH3:95])[cH:96][cH:97]2)[CH2:82][CH2:83][NH:84][CH2:85][CH2:86]1.[O-:105][C:106]([CH3:107])=[O:108].[O-:109][C:110]([CH3:111])=[O:112].[O:98]1[CH2:99][CH2:100][O:101][CH2:102][CH2:103]1.[OH2:113].[Pd+2:104].[c:7]1([P:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:20][cH:21][cH:22][cH:23]3)[c:24]2-[c:25]2[c:26]3[c:27]([cH:28][cH:29][cH:30][cH:31]3)[cH:32][cH:33][c:34]2[P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH3:53][CH:54]1[O:55][CH:56]([CH3:80])[CH2:57][N:58]([c:60]2[cH:61][cH:62][c:63](-[c:66]3[cH:67][cH:68][c:69]([N:84]4[CH2:83][CH2:82][N:81]([c:87]5[cH:88][cH:89][c:90]([C:91](=[O:92])[O:93][CH2:94][CH3:95])[cH:96][cH:97]5)[CH2:86][CH2:85]4)[cH:70][cH:71]3)[cH:64][cH:65]2)[CH2:59]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 2761178Ethyl 4-(piperazin-1-yl)benzoateHCID 87947150HCID 87947150, compound

Product 1

HCID 69677650HCID 69677650, compound

Sources & evidence

ORD record
ord-cc314873d4af4f7a822744bc1c4522f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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