HRID2136215

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6386

tert-Butyl alcohol

C4H10O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID124611

Tributylbenzylammonium

C19H34N+

HCID3857574

Benzenesulfinate

C6H5O2S-

结构：CC1(C)C(=O)NC(=O)N1CCNc1nccc(-c2ccc(I)s2)n1

HCID60204465

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCNc1nccc(-c2ccc(I)s2)n1

HCID60204516

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35f0eafb44554059abfe19b227c7a8af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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