Ethyl Acetate → HCID 86657055, compound

HRID 197534Notes

Reaction equation

HRID 197534 reaction equation
[C:19]([NH2:20])([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26].[C:27](=[O:28])([O-:29])[O-:30].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([Br:18])[c:12]2[n:13]([cH:14]1)[n:15][cH:16][cH:17]2.[CH2:33]1[O:34][CH2:35][CH2:36][O:37][CH2:38]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[Cs+:31].[Cs+:32].[O:47]=[C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:45].[Pd:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([NH:20][C:19]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[c:12]2[n:13]([cH:14]1)[n:15][cH:16][cH:17]2

Participants

9

Reactant 8

HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 77922tert-Butyl carbamateHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 67374380HCID 67374380, compound

Product 1

HCID 86657055HCID 86657055, compound

Sources & evidence

ORD record
ord-2cd979bdadf14893b828f97b39239b23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…