HRID134467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID4067207

3-Methoxybenzyl bromide

C8H9BrO

结构：CCCCOC(C)(Cc1ccc(OCCC2CNC(=O)N2C)cc1)C(=O)OCC

HCID68867508

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(C)(Cc1ccc(OCCC2CN(Cc3cccc(OC)c3)C(=O)N2C)cc1)C(=O)OCC

HCID68870062

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df1e7f98d6f84a24bf1f0c739f785dcf
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

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