HRID1213464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：CN(C)Cc1ccc(C(=O)NC2(C(=O)OCc3ccccc3)CCCCC2)cc1

HCID57672885

未命名化合物

PRODUCTS

生成物

结构：CN(C)Cc1ccc(C2=NC3(CCCCC3)C(=O)O2)cc1

HCID57672908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8081927ac90e4f07b57f26fb7914f415
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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