HRID2341173

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID81531

Diisopropylethylamine

C8H19N

HCID4100856

1-ethynyl-2-(trifluoromethyl)benzene

C9H5F3

结构：CC1(C)OC2C(COS(N)(=O)=O)OC(n3cnc4c(I)ncnc43)C2O1

HCID87293281

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC2C(COS(N)(=O)=O)OC(n3cnc4c(C#Cc5ccccc5C(F)(F)F)ncnc43)C2O1

HCID178431271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0e20d07364e435487e553fda895c89d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:36](#[CH:37])[c:38]1[c:39]([C:44]([F:45])([F:46])[F:47])[cH:40][cH:41][cH:42][cH:43]1.[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[Cl:53][CH2:54][Cl:55].[Cu:56][I:57].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[Pd:58]([Cl:59])[Cl:60].[S:1]([NH2:2])([O:3][CH2:4][CH:5]1[O:6][CH:7]([n:15]2[c:16]3[n:17][cH:18][n:19][c:20]([I:24])[c:21]3[n:22][cH:23]2)[CH:8]2[O:9][C:10]([CH3:13])([CH3:14])[O:11][CH:12]12)(=[O:25])=[O:26].[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1>>[S:1]([NH2:2])([O:3][CH2:4][CH:5]1[O:6][CH:7]([n:15]2[c:16]3[n:17][cH:18][n:19][c:20]([C:37]#[C:36][c:38]4[c:39]([C:44]([F:45])([F:46])[F:47])[cH:40][cH:41][cH:42][cH:43]4)[c:21]3[n:22][cH:23]2)[CH:8]2[O:9][C:10]([CH3:13])([CH3:14])[O:11][CH:12]12)(=[O:25])=[O:26]