Carbonate Ion → (2-Bromo-4-fluoro-6-{7-oxo-3,6-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),8-dien-6-yl}phenyl)methyl acetate

HRID 133903

Reaction equation

HRID 133903 reaction equation
[C:16]([CH3:17])(=[O:18])[O:19][CH2:20][c:21]1[c:22]([Br:29])[cH:23][c:24]([F:28])[cH:25][c:26]1[Br:27].[C:30](=[O:31])([O-:32])[O-:33].[CH:1]12[c:2]3[n:3]4[c:8]([cH:9][c:10]3[CH:11]([CH2:12][CH2:13]1)[CH2:14]2)[C:7](=[O:15])[NH:6][CH2:5][CH2:4]4.[CH:44](=[CH:45][C:46]([CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)=[O:55])[c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH:62](=[CH:63][C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)=[O:73])[c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH:80](=[CH:81][C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)=[O:91])[c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[Cs+:34].[Cs+:35].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[Pd:42].[Pd:43]>>[CH:1]12[c:2]3[n:3]4[c:8]([cH:9][c:10]3[CH:11]([CH2:12][CH2:13]1)[CH2:14]2)[C:7](=[O:15])[N:6]([c:22]1[c:21]([CH2:20][O:19][C:16]([CH3:17])=[O:18])[c:26]([Br:27])[cH:25][c:24]([F:28])[cH:23]1)[CH2:5][CH2:4]4

Participants

8

Reactant 7

HCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 580438163,4,6,7,8,9-Hexahydro-6,9-methanopyrazino[1,2-a]indol-1(2H)-oneHCID 670165932,6-Dibromo-4-fluorobenzyl acetate

Product 1

HCID 68096577(2-Bromo-4-fluoro-6-{7-oxo-3,6-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),8-dien-6-yl}phenyl)methyl acetate

Sources & evidence

ORD record
ord-7f685f50371a43feb7637c2c881513d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…