HRID183362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

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

HCID21062247

未命名化合物

HCID86642336

未命名化合物

PRODUCTS

生成物

结构：CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(O)C3CCCC3)nc21

HCID25123660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05b06c3dbb9b42339b795d84f34cd20b
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

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