HRID1133836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

2 次

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

结构：CCC[Si]1(c2ccccc2)CCC(c2ccc(I)cc2)CC1

HCID19039148

未命名化合物

HCID178505904

未命名化合物

PRODUCTS

生成物

结构：CCC[Si]1(c2ccccc2)CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1

HCID19039134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3ab7cea81fb4043ae2fa2c6ecc4de8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:123][CH2:124][O:125][C:126](=[O:127])[CH3:128].[Cl-:13].[Cl-:44].[F:14][c:15]1[cH:16][cH:17][c:18]([Zn+:21])[cH:19][cH:20]1.[I:22][c:23]1[cH:24][cH:25][c:26]([CH:29]2[CH2:30][CH2:31][Si:32]([CH2:35][CH2:36][CH3:37])([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[CH2:33][CH2:34]2)[cH:27][cH:28]1.[NH4+:45].[O:129]1[CH2:130][CH2:131][CH2:132][CH2:133]1.[O:8]1[CH2:9][CH2:10][CH2:11][CH2:12]1.[Pd:46].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:1]1([CH3:2])[cH:3][cH:4][cH:5][cH:6][cH:7]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[F:14][c:15]1[cH:16][cH:17][c:18](-[c:23]2[cH:24][cH:25][c:26]([CH:29]3[CH2:30][CH2:31][Si:32]([CH2:35][CH2:36][CH3:37])([c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[CH2:33][CH2:34]3)[cH:27][cH:28]2)[cH:19][cH:20]1