HRID1137815

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

HCID9964

4-(Trifluoromethyl)aniline

C7H6F3N

反应SMILES：COC1=C(OC)C(=O)C(Cc2ccc(C(=O)O)c(-c3ccccc3)c2)=C(C)C1=O

HCID21919146

未命名化合物

HCID57501467

未命名化合物

PRODUCTS

产物

反应SMILES：COC1=C(OC)C(=O)C(Cc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(-c3ccccc3)c2)=C(C)C1=O

HCID21919206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cfcc6efe95cc451ba2d9ffb916e9587c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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