HRID165295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID89096

2,6-Dimethylbenzoyl chloride

C9H9ClO

结构：CCNCC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F

HCID59324125

未命名化合物

PRODUCTS

生成物

结构：CCN(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(C)cccc1C

HCID45271025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ab89ffc52a24d42b58687f1d804d766
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

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