HRID213079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID24350

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

CuI

HCID28179

Fluoride

F-

结构：C[Si](C)(C)C#Cc1cncc(C(=O)N=S(C)(=O)c2ccccc2)c1

HCID57657915

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

HCID178516180

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=NC(=O)c1cncc(C#Cc2ccc(O)nc2)c1)c1ccccc1

HCID178504647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c01796fdd41432ba63ebeb905133d70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][S:2](=[N:3][C:4]([c:5]1[cH:6][n:7][cH:8][c:9]([C:11]#[C:12][Si:13]([CH3:14])([CH3:15])[CH3:16])[cH:10]1)=[O:17])([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)=[O:24].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:41][CH2:42][CH2:43][CH2:44][N+:45]([CH2:46][CH2:47][CH2:48][CH3:49])([CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH2:56][CH3:57].[Cu:140][I:141].[F-:40].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:25][c:26]1[n:27][cH:28][c:29]([I:32])[cH:30][cH:31]1.[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([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)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([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)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)([c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[CH3:1][S:2](=[N:3][C:4]([c:5]1[cH:6][n:7][cH:8][c:9]([C:11]#[C:12][c:29]2[cH:28][n:27][c:26]([OH:25])[cH:31][cH:30]2)[cH:10]1)=[O:17])([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)=[O:24]