HRID1130978

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID66036

4-Chlorobenzylamine

C7H8ClN

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID58710571

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1nc(-c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)cnc1N

HCID68651957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef19edad3f92459ba79f8369a02a4715
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

[CH2:41]([N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50])[CH3:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:31][c:32]1[cH:33][cH:34][c:35]([CH2:36][NH2:37])[cH:38][cH:39]1.[ClH:40].[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:12]2[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19][cH:20]2)[n:6][c:7]1[C:8](=[O:9])[NH:10][CH3:11].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH:21][n:22]1[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:12]2[cH:13][c:14]([C:15](=[O:17])[NH:37][CH2:36][c:35]3[cH:34][cH:33][c:32]([Cl:31])[cH:39][cH:38]3)[cH:18][cH:19][cH:20]2)[n:6][c:7]1[C:8](=[O:9])[NH:10][CH3:11]