HRID1133055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID120118

6-Phenylpyridine-3-carboxylic acid

C12H9NO2

HCID11217421

1-Methyl-1,2,3,4-tetrahydroquinolin-7-amine

C10H14N2

PRODUCTS

生成物

结构：CN1CCCc2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc21

HCID44415813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45157280822d4526ad89ccb9150537d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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