HRID94640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID12060

Benzoic acid, 3-iodo-

C7H5IO2

HCID16028

Tetrabutylammonium

C16H36N+

HCID24290

未命名化合物

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

PRODUCTS

生成物

结构：CS(=O)(=NC(=O)c1cncc(C#Cc2cccc(C(=O)O)c2)c1)c1ccccc1

HCID57657845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d41d9d664b984f92a94aaa5f01a6d798
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

[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].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:62][CH2:63][CH2:64][CH2:65][N+:66]([CH2:67][CH2:68][CH2:69][CH3:70])([CH2:71][CH2:72][CH2:73][CH3:74])[CH2:75][CH2:76][CH2:77][CH3:78].[Cu:125][I:126].[F-:61].[I:25][c:26]1[cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33][cH:34]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[Pd:84]([Cl:85])[Cl:86].[c:106]1([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)[cH:120][cH:121][cH:122][cH:123][cH:124]1.[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1.[c:87]1([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)[cH:101][cH:102][cH:103][cH:104][cH:105]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:26]2[cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33][cH:34]2)[cH:10]1)=[O:17])([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)=[O:24]