HRID177063

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

HCID8902

Dipropylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1

HCID6931682

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1

HCID690570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-138abcc3968043ba8d81e333f7f1a5ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:47]([CH2:48][CH3:49])[NH:50][CH2:51][CH2:52][CH3:53].[CH3:18][N:19]([CH3:20])[CH2:21][CH2:22][CH2:23][N:24]=[C:25]=[N:26][CH2:27][CH3:28].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:54][N:55]([CH3:56])[c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1.[Cl:63][CH2:64][Cl:65].[ClH:17].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([C:14](=[O:15])[O-:16])[cH:7][c:8]([C:9](=[O:10])[O:11][CH3:12])[cH:13]1.[OH2:29].[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([C:14](=[O:16])[N:50]([CH2:47][CH2:48][CH3:49])[CH2:51][CH2:52][CH3:53])[cH:7][c:8]([C:9](=[O:10])[O:11][CH3:12])[cH:13]1