HRID1147572

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

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID138823

Cyclopropylacetylene

C5H6

结构：CC(Nc1nc(OC2CC2)c2nc(Cl)ccc2n1)c1ccc(S(N)(=O)=O)cc1

HCID76738449

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1nc(OC2CC2)c2nc(C#CC3CC3)ccc2n1)c1ccc(S(N)(=O)=O)cc1

HCID67162554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ee75401aeec48dfbe8dd2aead50efb0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:29](#[CH:30])[CH:31]1[CH2:32][CH2:33]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6][c:7]([NH:16][CH:17]([CH3:18])[c:19]3[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[NH2:28])[cH:23][cH:24]3)[n:8][c:9]([O:12][CH:13]3[CH2:14][CH2:15]3)[c:10]2[n:11]1.[Cu:81][I:82].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:34].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[c:2]1([C:30]#[C:29][CH:31]2[CH2:32][CH2:33]2)[cH:3][cH:4][c:5]2[n:6][c:7]([NH:16][CH:17]([CH3:18])[c:19]3[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[NH2:28])[cH:23][cH:24]3)[n:8][c:9]([O:12][CH:13]3[CH2:14][CH2:15]3)[c:10]2[n:11]1