HRID1137826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6115

Aniline

C6H7N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

结构：Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)O)cc3)c2)o1

HCID11220119

未命名化合物

PRODUCTS

生成物

结构：Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)Nc4ccccc4)cc3)c2)o1

HCID10133689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef88812aa6ab4a86b31436223ce3ef23
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

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