Chloride → HCID 178492485, compound

HRID 1223225Notes

Reaction equation

HRID 1223225 reaction equation
[Br:1][c:2]1[cH:3][n:4][cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[cH:7]1.[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22](=[O:23])[N:24]1[CH:25]2[CH2:26][NH:27][CH:28]([CH2:29]1)[CH2:30]2.[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl-:45].[Na+:36].[Na+:44].[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:46].[Pd:47]>>[c:2]1([N:27]2[CH2:26][CH:25]3[N:24]([C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:23])[CH2:29][CH:28]2[CH2:30]3)[cH:3][n:4][cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[cH:7]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ion2×HCID 1140TolueneHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 2760898(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylateHCID 45749132-Methylpropan-2-olateHCID 120162263-Bromo-5-(4-methoxyphenoxy)pyridine

Product 1

HCID 178492485HCID 178492485, compound

Sources & evidence

ORD record
ord-6a3160e3ed6744c2888661a603d59d0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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