Potassium Cation → 5-(4-Amino-3-cyclohept-1-enyl-phenyl)-1,3-dimethyl-tetrahydro-pyrimidin-2-one

HRID 1211459Notes

Reaction equation

HRID 1211459 reaction equation
[C:25]1([B:32]([OH:33])[OH:34])=[CH:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1.[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[CH:117](=[CH:118][C:119]([CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1)=[O:128])[c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1.[CH:43]1([P:44]([CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2-[c:57]2[c:58]([O:59][CH3:60])[cH:61][cH:62][cH:63][c:64]2[O:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]1.[CH:81](=[CH:82][C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)=[O:92])[c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[CH:99](=[CH:100][C:101]([CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1)=[O:110])[c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[K+:40].[K+:41].[K+:42].[NH2:8][c:9]1[c:10]([Br:24])[cH:11][c:12]([CH:15]2[CH2:16][N:17]([CH3:23])[C:18](=[O:22])[N:19]([CH3:21])[CH2:20]2)[cH:13][cH:14]1.[P:35]([O-:36])([O-:37])([O-:38])=[O:39].[Pd:79].[Pd:80]>>[NH2:8][c:9]1[c:10]([C:25]2=[CH:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[cH:11][c:12]([CH:15]2[CH2:16][N:17]([CH3:23])[C:18](=[O:22])[N:19]([CH3:21])[CH2:20]2)[cH:13][cH:14]1

Participants

10

Reactant 9

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 1140TolueneHCID 6422Trifluoroacetic acidHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 3434501Cyclohepten-1-ylboronic acidHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 597712585-(4-Amino-3-bromophenyl)-1,3-dimethyl-1,3-diazinan-2-one

Product 1

HCID 597712785-(4-Amino-3-cyclohept-1-enyl-phenyl)-1,3-dimethyl-tetrahydro-pyrimidin-2-one

Sources & evidence

ORD record
ord-a8fa7a61647446ae99974179c21f7627
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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