HRID101558

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

结构：COC1=C(OC)C(=O)C(Cc2ccc(OCc3cccnc3)c(C(=O)O)c2)=C(C)C1=O

HCID22054171

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(OCc3cccnc3)c(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)=C(C)C1=O

HCID22054299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd05c22f36cc43908c25659673cf6719
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

[CH2:60]([Cl:61])[Cl:62].[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH3:28][O:29][C:30]1=[C:35]([O:36][CH3:37])[C:34](=[O:38])[C:33]([CH2:39][c:40]2[cH:41][cH:42][c:43]([O:49][CH2:50][c:51]3[cH:52][n:53][cH:54][cH:55][cH:56]3)[c:44]([C:45](=[O:46])[OH:47])[cH:48]2)=[C:32]([CH3:57])[C:31]1=[O:58].[Cl-:19].[Cl:20][CH:21]1[N:22]([CH3:23])[CH2:24][CH2:25][NH+:26]1[CH3:27].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH2:7])[cH:8][cH:9]1)([F:10])[F:11].[OH2:59]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:7][C:45]([c:44]2[c:43]([O:49][CH2:50][c:51]3[cH:52][n:53][cH:54][cH:55][cH:56]3)[cH:42][cH:41][c:40]([CH2:39][C:33]3=[C:32]([CH3:57])[C:31](=[O:58])[C:30]([O:29][CH3:28])=[C:35]([O:36][CH3:37])[C:34]3=[O:38])[cH:48]2)=[O:46])[cH:8][cH:9]1)([F:10])[F:11]