Acetate → HCID 57708276, compound

HRID 193557Notes

Reaction equation

HRID 193557 reaction equation
[C:82](=[O:83])([O-:84])[O-:85].[CH3:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[CH3:95][CH2:96][O:97][C:98]([CH3:99])=[O:100].[Cl:1][c:2]1[cH:3][c:4]([NH:8][CH:9]2[CH2:10][N:11]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:12][CH2:13][CH2:14]2)[n:5][cH:6][n:7]1.[Cs+:86].[Cs+:87].[O-:102][C:103]([CH3:104])=[O:105].[O-:106][C:107]([CH3:108])=[O:109].[O:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][c:32]([NH2:33])[cH:34][cH:35]1.[Pd+2:101].[cH:36]1[cH:37][cH:38][c:39]([P:40]([c:41]2[cH:42][cH:43][c:44]3[c:45]([cH:46][cH:47][cH:48][cH:49]3)[c:50]2-[c:51]2[c:52]3[c:53]([cH:54][cH:55][cH:56][cH:57]3)[cH:58][cH:59][c:60]2[P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81]1>>[c:2]1([NH:33][c:32]2[cH:31][cH:30][c:29]([O:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:35][cH:34]2)[cH:3][c:4]([NH:8][CH:9]2[CH2:10][N:11]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:12][CH2:13][CH2:14]2)[n:5][cH:6][n:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 1140TolueneHCID 8764(4-Aminophenoxy)benzeneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 22309474tert-Butyl 3-((6-chloropyrimidin-4-yl)amino)piperidine-1-carboxylate

Product 1

HCID 57708276HCID 57708276, compound

Sources & evidence

ORD record
ord-a282e15d2a9b448d98a973f81321864b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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