HRID141894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6340

Ethane, iodo-

C2H5I

HCID16028

Tetrabutylammonium

C16H36N+

HCID166653

Hydride

H-

HCID5460719

未命名化合物

结构：O=C(C=Cc1cccnc1)NCCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID53946994

未命名化合物

PRODUCTS

生成物

结构：CCN(CCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)C=Cc1cccnc1

HCID69893059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ceda729569b54ab8aa1f2022844b8d76
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].[CH2:41]([N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57].[H-:36].[I+:40].[Na+:35].[OH2:58].[c:1]1([CH:7]([N:8]2[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][CH2:16][CH2:17][NH:18][C:19]([CH:20]=[CH:21][c:22]3[cH:23][n:24][cH:25][cH:26][cH:27]3)=[O:28])[CH2:12][CH2:13]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([N:8]2[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][CH2:16][CH2:17][N:18]([C:19]([CH:20]=[CH:21][c:22]3[cH:23][n:24][cH:25][cH:26][cH:27]3)=[O:28])[CH2:37][CH3:38])[CH2:12][CH2:13]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1