HRID318592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID8018

2-Methoxyethylamine

C3H9NO

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(NCCCl)ccc1Cl

HCID11417653

未命名化合物

PRODUCTS

生成物

结构：COCCNCCNc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1

HCID9804085

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13df7bb4ef644d248d931cc722261be8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:37][O:38][CH2:39][CH2:40][NH2:41].[CH3:42][CH2:43][OH:44].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]23[CH2:9][CH:10]4[CH2:11][CH:12]([CH2:13][CH:14]([CH2:15]2)[CH2:16]4)[CH2:17]3)[cH:18][c:19]([NH:22][CH2:23][CH2:24][Cl:25])[cH:20][cH:21]1.[I-:36].[Na+:35]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]23[CH2:9][CH:10]4[CH2:11][CH:12]([CH2:13][CH:14]([CH2:15]2)[CH2:16]4)[CH2:17]3)[cH:18][c:19]([NH:22][CH2:23][CH2:24][NH:41][CH2:40][CH2:39][O:38][CH3:37])[cH:20][cH:21]1