HRID700893

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：O=C(NC1(C(=O)OCc2ccccc2)CCCCC1)c1ccc(CN2CCOCC2)cc1

HCID57672842

未命名化合物

PRODUCTS

生成物

结构：O=C1OC(c2ccc(CN3CCOCC3)cc2)=NC12CCCCC2

HCID57672812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1e4299e633548759e1dc5f8b6cc656b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:44]([N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53])[CH3:54].[CH2:60]([Cl:61])[Cl:62].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[ClH:35].[ClH:43].[Na+:2].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]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]4[CH2:30][CH2:31][O:32][CH2:33][CH2:34]4)[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]2[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)[cH:26][cH:27]1