HRID2134691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

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

CuI

HCID28557

18-Crown-6

C12H24O6

结构：CS(=O)(=O)c1ccc(C(CC2CCOCC2)C(=O)Nc2cnc(Br)cn2)cc1Cl

HCID9983551

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

HCID178511842

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(CC2CCOCC2)C(=O)Nc2cnc(C#N)cn2)cc1Cl

HCID10478860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c18f446282f4b06b149dd830fcf9f04
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

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