HRID180322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

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

HCID21185506

未命名化合物

HCID58100104

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCC#Cc1ccc(C#CCCN2C(=O)c3ccccc3C2=O)cc1)OCc1ccccc1

HCID58100142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09dcc8a94c5f4930aaa6172a3ad252b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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