Acetate → HCID 67194489, compound

HRID 197983Notes

Reaction equation

HRID 197983 reaction equation
[Br:82][c:83]1[cH:84][c:85]([F:90])[c:86]([NH2:89])[cH:87][cH:88]1.[C:103]([O-:104])(=[O:105])[CH3:106].[C:47](=[O:48])([O-:49])[O-:50].[C:98]([O-:99])(=[O:100])[CH3:101].[CH2:53]([c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[N:60]1[CH2:61][CH2:62][n:63]2[c:64]1[c:65]([N+:79](=[O:80])[O-:81])[c:66]([O:71][S:72]([C:73]([F:74])([F:75])[F:76])(=[O:77])=[O:78])[c:67]([CH3:70])[c:68]2=[O:69].[CH3:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[Cs+:51].[Cs+:52].[Pd+2:102].[cH:1]1[cH:2][cH:3][c:4]([P:5]([c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:11][cH:12][cH:13][cH:14]3)[c:15]2-[c:16]2[c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[cH:23][cH:24][c:25]2[P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46]1>>[CH2:53]([c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[N:60]1[CH2:61][CH2:62][n:63]2[c:64]1[c:65]([N+:79](=[O:80])[O-:81])[c:66]([NH:89][c:86]1[c:85]([F:90])[cH:84][c:83]([Br:82])[cH:88][cH:87]1)[c:67]([CH3:70])[c:68]2=[O:69]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1230504-Bromo-2-fluoroanilineHCID 634876Binap, (A+-)-HCID 58380548HCID 58380548, compound

Product 1

HCID 67194489HCID 67194489, compound

Sources & evidence

ORD record
ord-62d43af74cf74b08aa1431cc13b42203
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…