HRID167960

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C(=O)Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID11267141

未命名化合物

HCID11820052

3-Amino-4-benzoylpyridine

C12H10N2O

PRODUCTS

生成物

结构：CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnccc1C(=O)c1ccccc1

HCID9935485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2c2a03a540a4656b5c6338049cf4470
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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