Acetate → HCID 86629636, compound

HRID 1225659Notes

Reaction equation

HRID 1225659 reaction equation
[C:81](=[O:82])([O-:83])[O-:84].[C:94]([O-:95])(=[O:96])[CH3:97].[C:99]([O-:100])(=[O:101])[CH3:102].[CH3:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[Cl:1][c:2]1[c:3]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[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.[Cs+:85].[Cs+:86].[Pd+2:98].[cH:35]1[cH:36][cH:37][c:38]([P:39]([c:40]2[cH:41][cH:42][c:43]3[c:44]([cH:45][cH:46][cH:47][cH:48]3)[c:49]2-[c:50]2[c:51]3[c:52]([cH:53][cH:54][cH:55][cH:56]3)[cH:57][cH:58][c:59]2[P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80]1.[n:27]1[c:28]([CH2:33][NH2:34])[cH:29][cH:30][cH:31][cH:32]1>>[Cl:1][c:2]1[c:3]([NH:34][CH2:33][c:28]2[n:27][cH:32][cH:31][cH:30][cH:29]2)[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

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 195092-PyridinemethanamineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 574477477-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Product 1

HCID 86629636HCID 86629636, compound

Sources & evidence

ORD record
ord-fba364a86e854b9cb724ee8d165839d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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