Sodium ion → HCID 86622788, compound

HRID 188007Notes

Reaction equation

HRID 188007 reaction equation
[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[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.[F:27][C:28]([CH2:29][NH:30][CH2:31][c:32]1[cH:33][c:34]([B:38]([OH:39])[OH:40])[cH:35][cH:36][cH:37]1)([F:41])[F:42].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[OH2:54].[Pd:61]([Cl:62])[Cl:63].[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[c:83]1([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[cH:97][cH:98][cH:99][cH:100][cH:101]1>>[Cl:1][c:2]1[c:3](-[c:34]2[cH:33][c:32]([CH2:31][NH:30][CH2:29][C:28]([F:27])([F:41])[F:42])[cH:37][cH:36][cH:35]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

10

Reactant 9

HCID 923Sodium ion2×HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 574477477-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepineHCID 59787429HCID 59787429, compound

Product 1

HCID 86622788HCID 86622788, compound

Sources & evidence

ORD record
ord-ddde9caaff9646c2bbcb7e519a4e3987
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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