HRID134454

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

HCID11137906

Benzyl prop-2-yn-1-ylcarbamate

C11H11NO2

HCID21299384

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC#Cc1ccc(C#CCNC(=O)OCc2ccccc2)cn1

HCID21299383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5de9971cd66644f0a9e929125fb63517
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][CH2:10][NH:11][C:12]([O:13][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[n:6][cH:7]1.[C:19](=[O:20])([O:21][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[NH:29][CH2:30][C:31]#[CH:32].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH:33]([NH:34][CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cu:87][I:88].[Pd:46]([Cl:47])[Cl:48].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[c:2]1([C:32]#[C:31][CH2:30][NH:29][C:19](=[O:20])[O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:3][cH:4][c:5]([C:8]#[C:9][CH2:10][NH:11][C:12]([O:13][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[n:6][cH:7]1