HRID288152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID20010

2-Propyn-1-amine, N,N-diethyl-

C7H13N

HCID24350

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

CuI

结构：CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(I)ccc1-2

HCID57439869

未命名化合物

结构：Cl[Pd-2](Cl)([PH](c1ccccc1)(c1ccccc1)c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1

HCID178418903

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CC#Cc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2

HCID57439201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ff8ffb319bc49f380eeb5e36637d49a
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

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