HRID2137229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID999

Phenylacetic acid

C8H8O2

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：CC(=O)OCC1OC(OC(C)=O)C(N)C(OC(C)=O)C1OC(C)=O

HCID408523

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(OC(C)=O)C(NC(=O)Cc2ccccc2)C(OC(C)=O)C1OC(C)=O

HCID3123266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94398a4867f84b4484f748deca546101
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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