Acetate → HCID 59799080, compound

HRID 1152931Notes

Reaction equation

HRID 1152931 reaction equation
[C:117](=[O:118])([O-:119])[O-:120].[C:130]([O-:131])(=[O:132])[CH3:133].[C:135]([O-:136])(=[O:137])[CH3:138].[CH3:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[CH3:58][C:59]([CH3:60])([CH2:61][O:62][CH:63]1[CH2:64][CH2:65][CH2:66][CH2:67][O:68]1)[CH2:69][NH2:70].[Cl:1][c:2]1[c:3]([NH:19][CH2:20][C:21]([CH2:22][O:23][CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][O:29]2)([CH3:30])[CH3:31])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2.[Cl:32][c:33]1[cH:34][cH:35][c:36]2[c:48]([c:49]1[O:50][S:51]([C:52]([F:53])([F:54])[F:55])(=[O:56])=[O:57])[CH2:47][CH2:46][N:39]([C:40](=[O:41])[C:42]([F:43])([F:44])[F:45])[CH2:38][CH2:37]2.[Cs+:121].[Cs+:122].[Pd+2:134].[cH:71]1[cH:72][cH:73][c:74]([P:75]([c:76]2[cH:77][cH:78][c:79]3[c:80]([cH:81][cH:82][cH:83][cH:84]3)[c:85]2-[c:86]2[c:87]3[c:88]([cH:89][cH:90][cH:91][cH:92]3)[cH:93][cH:94][c:95]2[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[Cl:1][c:2]1[c:3]([NH:19][CH2:20][C:21]([CH2:22][OH:23])([CH3:30])[CH3:31])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 57447746HCID 57447746, compoundHCID 574477477-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepineHCID 57447748HCID 57447748, compound

Product 1

HCID 59799080HCID 59799080, compound

Sources & evidence

ORD record
ord-3e479fec82bb4ca2a9ca9fedc002d0d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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