HRID195941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8007

Butylamine

C4H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID24290

未命名化合物

HCID24350

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

CuI

HCID136704

3-Methyl-1-pentyne

C6H10

结构：CCN(CC=CCl)Cc1cccc(OCc2cccc(-c3ccsc3)c2)c1

HCID54209886

未命名化合物

PRODUCTS

生成物

结构：CCC(C)C#CC=CCN(CC)Cc1cccc(OCc2cccc(-c3ccsc3)c2)c1

HCID54454787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1abc06f5df84c7d9f35cb8d7afc122e
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

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