HRID313261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID140375

Methyl 4-methylaminobenzoate

C9H11NO2

结构：CC(c1ccc(C(=O)O)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

HCID57421268

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(N(C)C(=O)c2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)cc1

HCID46941003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ef974f4f405431d8d0a93e7969cbb30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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