HRID294236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID24350

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

CuI

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[CH2]c1cccc([N+](=O)[O-])c1

HCID13173607

未命名化合物

结构：Cn1c2c(c(I)c1-c1ccnc(N)n1)C(=O)N(C(=O)OC(C)(C)C)CC2

HCID67284326

未命名化合物

HCID129637703

未命名化合物

PRODUCTS

生成物

结构：Cn1c2c(c(Cc3cccc([N+](=O)[O-])c3)c1-c1ccnc(N)n1)C(=O)N(C(=O)OC(C)(C)C)CC2

HCID67285760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6df2734ac334eb895fde1d7ac1c1b12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[C:11](=[O:28])[c:12]2[c:13]([n:16]([CH3:27])[c:17](-[c:20]3[n:21][c:22]([NH2:26])[n:23][cH:24][cH:25]3)[c:18]2[I:19])[CH2:14][CH2:15]1.[Cs+:2].[Cu:146][I:147].[F-:1].[N+:29](=[O:30])([O-:31])[c:32]1[cH:33][c:34]([CH2:35][Sn:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[cH:49][cH:50][cH:51]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:57].[Pd:145].[c:107]1([P:108]([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)[cH:121][cH:122][cH:123][cH:124][cH:125]1.[c:126]1([P:127]([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141][cH:142][cH:143][cH:144]1.[c:69]1([P:70]([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)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([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)[cH:102][cH:103][cH:104][cH:105][cH:106]1.[n:58]1[cH:59][c:60]2[c:61]([n:62][cH:63][nH:64]2)[n:65][c:66]1[CH2:67][OH:68]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[C:11](=[O:28])[c:12]2[c:13]([n:16]([CH3:27])[c:17](-[c:20]3[n:21][c:22]([NH2:26])[n:23][cH:24][cH:25]3)[c:18]2[CH2:35][c:34]2[cH:33][c:32]([N+:29](=[O:30])[O-:31])[cH:51][cH:50][cH:49]2)[CH2:14][CH2:15]1