HRID201711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

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

HCID15566577

3-(2-Methoxyethoxy)prop-1-yne

C6H10O2

HCID17980527

未命名化合物

PRODUCTS

生成物

HCID68881329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18b888f492574260aa30b8d4d17cfe6a
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

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