HRID178830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID122346

1-Ethyl-3-(3-dimethylaminoethyl)carbodiimide

C7H15N3

HCID15840528

Ethyl (4-amino-2-fluorophenyl)acetate

C10H12FNO2

HCID59760049

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(NC(=O)c2cc(OCc3cccc(Cl)c3)ccc2Cl)cc1F

HCID59163386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17006372d1f747bfa560d32d0fd4df6e
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

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