HRID87465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID233272

tert-Butyl 4-aminobenzoate

C11H15NO2

结构：COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)O)c2)=C(C)C1=O

HCID22054271

未命名化合物

HCID57501467

未命名化合物

PRODUCTS

生成物

结构：COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccc(C(=O)OC(C)(C)C)cc3)c2)=C(C)C1=O

HCID22054238

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06a02b88d4a346a088588b53229c45b9
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

[CH2:59]([Cl:60])[Cl:61].[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:31][O:32][C:33]1=[C:38]([O:39][CH3:40])[C:37](=[O:41])[C:36]([CH2:42][c:43]2[cH:44][cH:45][c:46]([O:52][C:53]([CH3:54])=[O:55])[c:47]([C:48](=[O:49])[OH:50])[cH:51]2)=[C:35]([CH3:56])[C:34]1=[O:57].[Cl-:22].[Cl:23][CH:24]1[N:25]([CH3:26])[CH2:27][CH2:28][NH+:29]1[CH3:30].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1.[OH2:58]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1)[C:48]([c:47]1[c:46]([O:52][C:53]([CH3:54])=[O:55])[cH:45][cH:44][c:43]([CH2:42][C:36]2=[C:35]([CH3:56])[C:34](=[O:57])[C:33]([O:32][CH3:31])=[C:38]([O:39][CH3:40])[C:37]2=[O:41])[cH:51]1)=[O:49]