HRID138935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID70282

6-Methylpyridine-2-carboxylic acid

C7H7NO2

结构：NC1CC(n2cnc(NC(=O)Cc3cccc4ccccc34)c2)C1

HCID22025969

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C(=O)NC2CC(n3cnc(NC(=O)Cc4cccc5ccccc45)c3)C2)n1

HCID10114110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79546957891e46298c53fa195d0cbbf1
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

[CH2:49]([Cl:50])[Cl:51].[CH3:12][N:13]([CH3:14])[CH2:15][CH2:16][CH2:17][N:18]=[C:19]=[N:20][CH2:21][CH3:22].[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:8](=[O:9])[OH:10])[n:7]1.[CH3:52][N:53]([c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1)[CH3:60].[ClH:11].[NH2:23][CH:24]1[CH2:25][CH:26]([n:28]2[cH:29][n:30][c:31]([NH:33][C:34]([CH2:35][c:36]3[cH:37][cH:38][cH:39][c:40]4[cH:41][cH:42][cH:43][cH:44][c:45]34)=[O:46])[cH:32]2)[CH2:27]1.[Na+:48].[OH-:47].[OH2:61]>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:8](=[O:10])[NH:23][CH:24]2[CH2:25][CH:26]([n:28]3[cH:29][n:30][c:31]([NH:33][C:34]([CH2:35][c:36]4[cH:37][cH:38][cH:39][c:40]5[cH:41][cH:42][cH:43][cH:44][c:45]45)=[O:46])[cH:32]3)[CH2:27]2)[n:7]1