Chloride → HCID 59215789, compound

HRID 1550044Notes

Reaction equation

HRID 1550044 reaction equation
[C:86]([P:87]([C:88]([CH3:89])([CH3:90])[CH3:91])[C:92]([CH3:93])([CH3:94])[CH3:95])([CH3:96])([CH3:97])[CH3:98].[C:99]([P:100]([C:101]([CH3:102])([CH3:103])[CH3:104])[C:105]([CH3:106])([CH3:107])[CH3:108])([CH3:109])([CH3:110])[CH3:111].[CH2:65]([N+:66]([CH3:67])([CH3:68])[CH3:69])[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74][CH2:75][CH2:76][CH2:77][CH2:78][CH2:79][CH2:80][CH2:81][CH2:82][CH2:83][CH3:84].[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH:8]1[CH:9]2[N:10]([CH2:11][CH2:12][NH:13]1)[CH2:14][CH2:15][CH2:16]2)([CH3:17])[CH3:18].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl-:64].[F:19][C:20]([c:21]1[cH:22][c:23]([C:31]([C:32](=[O:33])[N:34]([CH3:35])[c:36]2[cH:37][n:38][c:39]([Cl:50])[cH:40][c:41]2-[c:42]2[c:43]([CH3:49])[cH:44][c:45]([F:48])[cH:46][cH:47]2)([CH3:51])[CH3:52])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:53])[F:54].[Na+:56].[OH-:55].[Pd:85]>>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH:8]1[CH:9]2[N:10]([CH2:11][CH2:12][N:13]1[c:39]1[n:38][cH:37][c:36]([N:34]([C:32]([C:31]([c:23]3[cH:22][c:21]([C:20]([F:19])([F:53])[F:54])[cH:26][c:25]([C:27]([F:28])([F:29])[F:30])[cH:24]3)([CH3:51])[CH3:52])=[O:33])[CH3:35])[c:41](-[c:42]3[c:43]([CH3:49])[cH:44][c:45]([F:48])[cH:46][cH:47]3)[cH:40]1)[CH2:14][CH2:15][CH2:16]2)([CH3:17])[CH3:18]

Participants

10

Reactant 9

HCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 1140TolueneHCID 2681CetyltrimethylammoniumHCID 23938PalladiumHCID 83681Tris(1,1-dimethylethyl)phosphine2×HCID 235027842-(3,5-Bis(trifluoromethyl)phenyl)-N-(6-chloro-4-(4-fluoro-2-methylphenyl)pyrid-3-yl)-N,2-dimethylpropanamideHCID 59215832HCID 59215832, compound

Product 1

HCID 59215789HCID 59215789, compound

Sources & evidence

ORD record
ord-b788025ba5b54c91b664cd18cdeff579
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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