HRID91995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

2 次

HCID23994

Zinc

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID156165

1,1,1-Trifluoro-3-iodopropane

C3H4F3I

结构：C[Si](C)(C)CCN1C(=O)CN(c2ccc(I)cc2OCc2ccccc2)S1(=O)=O

HCID66756937

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)CCN1C(=O)CN(c2ccc(CCC(F)(F)F)cc2OCc2ccccc2)S1(=O)=O

HCID68998016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7991194dd33d4f03b28b3d03f55e8a61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][c:16]1[c:17]([N:23]2[CH2:24][C:25](=[O:36])[N:26]([CH2:30][CH2:31][Si:32]([CH3:33])([CH3:34])[CH3:35])[S:27]2(=[O:28])=[O:29])[cH:18][cH:19][c:20]([I:22])[cH:21]1.[F:1][C:2]([CH2:3][CH2:4][I:5])([F:6])[F:7].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[O:45]=[C:46]([CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]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.[Pd:43].[Pd:44].[Zn:42]>>[F:1][C:2]([CH2:3][CH2:4][c:20]1[cH:19][cH:18][c:17]([N:23]2[CH2:24][C:25](=[O:36])[N:26]([CH2:30][CH2:31][Si:32]([CH3:33])([CH3:34])[CH3:35])[S:27]2(=[O:28])=[O:29])[c:16]([O:15][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:21]1)([F:6])[F:7]