Dimethylformamide → 1-[5-(5-Fluoro-pyridin-3-ylethynyl)-pyridin-2-yl]-4,4-dimethyl-pyrrolidin-2-one
반응식
[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:1][C:2]1([CH3:20])[CH2:3][C:4](=[O:19])[N:5]([c:7]2[n:8][cH:9][c:10]([C:13]#[C:14][Si:15]([CH3:16])([CH3:17])[CH3:18])[cH:11][cH:12]2)[CH2:6]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[Cu:106][I:107].[F:21][c:22]1[cH:23][n:24][cH:25][c:26]([I:28])[cH:27]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[Pd:65]([Cl:66])[Cl:67].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102][cH:103][cH:104][cH:105]1>>[CH3:1][C:2]1([CH3:20])[CH2:3][C:4](=[O:19])[N:5]([c:7]2[n:8][cH:9][c:10]([C:13]#[C:14][c:26]3[cH:25][n:24][cH:23][c:22]([F:21])[cH:27]3)[cH:11][cH:12]2)[CH2:6]1참가 물질
9
반응물 8
HCID 6228Dimethylformamide
HCID 8028Tetrahydrofuran
HCID 8471Triethylamine
HCID 11776Triphenylphosphine3회
HCID 24290Palladium Chloride
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 184547783-Fluoro-5-iodopyridine
HCID 575167294,4-Dimethyl-1-(5-trimethylsilanylethynyl-pyridin-2-yl)-pyrrolidin-2-one생성물 1
출처 및 근거
- ORD 기록
- ord-b3e95cd6143f490cbeba41f77bceb8c9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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