Sodium ion → HCID 66745644, compound

HRID 118091Notes

Reaction equation

HRID 118091 reaction equation
[C:23]([P:24]([C:25]([CH3:26])([CH3:27])[CH3:28])[c:29]1[cH:30][cH:31][c:32]([N:33]([CH3:34])[CH3:35])[cH:36][cH:37]1)([CH3:38])([CH3:39])[CH3:40].[C:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46](=[O:47])[N:48]([c:49]1[c:50]([C:56](=[O:57])[O:58][CH3:59])[n:51][c:52]([Br:55])[cH:53][n:54]1)[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66].[C:67](=[O:68])([O-:69])[O-:70].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([C:9]2=[CH:14][CH2:13][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:11][CH2:10]2)[O:22]1.[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[Cl:87][Pd:88][Cl:89].[Na+:71].[Na+:72].[OH2:80]>>[C:9]1([c:52]2[n:51][c:50]([C:56](=[O:57])[O:58][CH3:59])[c:49]([N:48]([C:46]([O:45][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:47])[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[n:54][cH:53]2)=[CH:14][CH2:13][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:11][CH2:10]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 4642098Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylateHCID 11714598(4-(N,N-Dimethylamino)phenyl)di-tert-butyl phosphineHCID 86660188HCID 86660188, compound

Product 1

HCID 66745644HCID 66745644, compound

Sources & evidence

ORD record
ord-fb0793e1123d44df9b921ecc7e782cf4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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