HRID315011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7505

Benzonitrile

C7H5N

2 次

HCID8082

Piperidine

C5H11N

HCID16239

(+/-)-3-Butyn-2-ol

C4H6O

HCID24290

未命名化合物

HCID24350

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

CuI

HCID521585

Tri(2-furyl)phosphine

C12H9O3P

反应SMILES：CC(C)(C)OC(=O)N1CCC(=C(I)c2ccccc2)CC1

HCID67046555

未命名化合物

PRODUCTS

产物

反应SMILES：CC(O)C#CC(=C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1

HCID86621957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9825357538104c76aeb1220a1d1de1ab
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

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