HRID118974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2736085

2,5-Dichloronicotinic acid

C6H3Cl2NO2

HCID59478590

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1cc(Cl)cnc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1

HCID76569243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89392a705bed4c07b7917dc8be09ec15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([Cl:11])[cH:9][n:10]1.[Cl:51][CH2:52][Cl:53].[ClH:28].[NH2:12][CH:13]([CH3:14])[c:15]1[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:26][cH:27]1.[OH2:40].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:12][CH:13]([CH3:14])[c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:26][cH:27]2)[cH:7][c:8]([Cl:11])[cH:9][n:10]1