Hydrogen Bromide → Hydrogen Bromide

HRID 126392

Reaction equation

HRID 126392 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[c:10]([CH3:32])[cH:11][c:12]([N:15]3[C:16](=[O:31])[N:17]([CH2:21][c:22]4[cH:23][c:24]5[c:28]([cH:29][cH:30]4)[O:27][CH2:26][O:25]5)[CH2:18][CH2:19][CH2:20]3)[cH:13][cH:14]2)[n:6][cH:7]1.[BrH:56].[CH3:46][Si:47]([N-:48][Si:49]([CH3:50])([CH3:51])[CH3:52])([CH3:53])[CH3:54].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[F:33][C:34]([c:35]1[cH:36][cH:37][c:38]([C:41]([CH3:42])=[O:43])[cH:39][cH:40]1)([F:44])[F:45].[K+:55].[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]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.[OH2:120].[Pd:64].[Pd:65]>>[BrH:1].[c:2]1([CH2:42][C:41]([c:38]2[cH:37][cH:36][c:35]([C:34]([F:33])([F:44])[F:45])[cH:40][cH:39]2)=[O:43])[cH:3][cH:4][c:5]([O:8][c:9]2[c:10]([CH3:32])[cH:11][c:12]([N:15]3[C:16](=[O:31])[N:17]([CH2:21][c:22]4[cH:23][c:24]5[c:28]([cH:29][cH:30]4)[O:27][CH2:26][O:25]5)[CH2:18][CH2:19][CH2:20]3)[cH:13][cH:14]2)[n:6][cH:7]1

Participants

11

Reactant 9

HCID 260Hydrogen BromideHCID 813Potassium CationHCID 962WaterHCID 1140TolueneHCID 23938Palladium2×HCID 697311-(4-(Trifluoromethyl)phenyl)ethan-1-oneHCID 95417Dibenzylidene acetone3×HCID 3280088Npc316347HCID 685273963-[4-(5-Bromopyridin-2-yloxy)-3-methylphenyl]-1-piperonyltetrahydropyrimidin-2-one

Product 2

HCID 260Hydrogen BromideHCID 685269471-(1,3-Benzodioxol-5-ylmethyl)-3-[3-methyl-4-[5-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyridin-2-yl]oxyphenyl]-1,3-diazinan-2-one

Sources & evidence

ORD record
ord-ef1322f0db504e06905a2856e2177e48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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