HRID158436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6340

Ethane, iodo-

C2H5I

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

结构：O=C(CCc1cccnc1)NCCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID9846838

未命名化合物

PRODUCTS

生成物

结构：CCN(CCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)CCc1cccnc1

HCID18431542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25bfdbc3a8f44c3b954a95d893d3258e
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

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