HRID136630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID1512654

4-(Pyridin-4-yl)aniline

C11H10N2

HCID51039954

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)Nc1ccc(-c2ccncc2)cc1

HCID66877096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8da5ab887c474cc3b8efc86829b891f9
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

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