Chloroform → Methyl 6-(5-methoxypyrazin-2-ylamino)-4-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylamino)nicotinate
Reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH3:22][O:23][c:24]1[n:25][cH:26][c:27]([NH2:30])[n:28][cH:29]1.[CH:135]([Cl:136])([Cl:137])[Cl:138].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([NH:12][CH:13]2[CH2:14][CH:15]3[CH2:16][CH2:17][CH:18]([CH2:19]2)[N:20]3[CH3:21])[cH:11]1.[Cs+:35].[Cs+:36].[O:117]=[C:118]([CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1)[CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[O:99]=[C:100]([CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1)[CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1.[Pd:79].[Pd:80].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[c:46]3[c:70]([cH:71][cH:72][cH:73]2)[C:67]([CH3:68])([CH3:69])[c:49]2[c:48]([c:53]([P:54]([c:55]4[cH:56][cH:57][cH:58][cH:59][cH:60]4)[c:61]4[cH:62][cH:63][cH:64][cH:65][cH:66]4)[cH:52][cH:51][cH:50]2)[O:47]3)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[c:2]1([NH:30][c:27]2[cH:26][n:25][c:24]([O:23][CH3:22])[cH:29][n:28]2)[n:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([NH:12][CH:13]2[CH2:14][CH:15]3[CH2:16][CH2:17][CH:18]([CH2:19]2)[N:20]3[CH3:21])[cH:11]1Participants
9
Reactant 8
HCID 6212Chloroform
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
HCID 145364295-Methoxypyrazin-2-amine
HCID 59613550Methyl 6-chloro-4-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylamino)nicotinateProduct 1
Sources & evidence
- ORD record
- ord-3924833f80f246d583ec61312916e500
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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