HRID2327936

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

HCID22136905

未命名化合物

结构：CNC(=O)c1c(N)n(C2CCCC2)c2nc(Cl)ccc2c1=O

HCID86642341

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(N)n(C2CCCC2)c2nc(C#CC(C)(O)CO)ccc2c1=O

HCID67081701

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5298b8dfed394938aa258f24b583bc18
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

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