HRID1139593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID66036

4-Chlorobenzylamine

C7H8ClN

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID469823

8-hydroxy-2-methylquinoline-7-carboxylic acid

C11H9NO3

PRODUCTS

生成物

结构：Cc1ccc2ccc(C(=O)NCc3ccc(Cl)cc3)c(O)c2n1

HCID18372652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2dc91418e9a84e66868fa68bd019eb6c
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

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