Sodium ion → HCID 86622787, compound

HRID 2336152Notes

Reaction equation

HRID 2336152 reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[CH:27]1([C:32](=[O:33])[NH:34][CH2:35][c:36]2[cH:37][cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]2)[CH2:28][CH2:29][CH2:30][CH2:31]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.[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[OH2:56].[Pd:63]([Cl:64])[Cl:65].[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[Cl:1][c:2]1[c:3](-[c:39]2[cH:38][cH:37][c:36]([CH2:35][NH:34][C:32]([CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31]3)=[O:33])[cH:41][cH:40]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 59787407(4-{[(Cyclopentanecarbonyl)amino]methyl}phenyl)boronic acid

Product 1

HCID 86622787HCID 86622787, compound

Sources & evidence

ORD record
ord-daea114e0db2437dbef76b29cc565a37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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