HRID136802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID13383

3-Bromothiophene

C4H3BrS

HCID16028

Tetrabutylammonium

C16H36N+

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID28179

Fluoride

F-

HCID30165

Iodide ion

I-

结构：CC(C)(C)Nc1c(-c2ccc(C#C[Si](C)(C)C)s2)nc2cnccn12

HCID69322358

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(C)Nc1c(-c2ccc(C#Cc3ccsc3)s2)nc2cnccn12

HCID69322640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-899f9805abe6491ca23452c8ce21445f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:45][c:46]1[cH:47][s:48][cH:49][cH:50]1.[C:20]([CH3:21])([CH3:22])([CH3:23])[NH:24][c:25]1[c:26](-[c:34]2[s:35][c:36]([C:39]#[C:40][Si:41]([CH3:42])([CH3:43])[CH3:44])[cH:37][cH:38]2)[n:27][c:28]2[n:29]1[cH:30][cH:31][n:32][cH:33]2.[C:69](=[O:70])([O-:71])[O-:72].[CH2:52]([N+:53]([CH2:54][CH2:55][CH2:56][CH3:57])([CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH3:68].[CH2:77]([N+:78]([CH2:79][CH2:80][CH2:81][CH3:82])([CH2:83][CH2:84][CH2:85][CH3:86])[CH2:87][CH2:88][CH2:89][CH3:90])[CH2:91][CH2:92][CH3:93].[CH2:99]1[O:100][CH2:101][CH2:102][CH2:103]1.[ClH:75].[Cu:104][I:105].[F-:51].[I-:76].[Na+:73].[Na+:74].[O:94]=[CH:95][N:96]([CH3:97])[CH3:98].[Pd:106]([Cl:107])[Cl:108].[c:109]1([P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124][cH:125][cH:126][cH:127]1.[c:128]1([P:129]([c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143][cH:144][cH:145][cH:146]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[C:20]([CH3:21])([CH3:22])([CH3:23])[NH:24][c:25]1[c:26](-[c:34]2[s:35][c:36]([C:39]#[C:40][c:46]3[cH:47][s:48][cH:49][cH:50]3)[cH:37][cH:38]2)[n:27][c:28]2[n:29]1[cH:30][cH:31][n:32][cH:33]2.[ClH:75]