HRID177546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID10219638

di-tert-butylcarbonate

C9H18O3

结构：CNC(=O)C(F)(C1CCc2c([nH]c3ccc(Cl)cc23)C1)S(=O)(=O)c1ccccc1

HCID11270482

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)C(F)(C1CCc2c(n(C(=O)OC(C)(C)C)c3ccc(Cl)cc23)C1)S(=O)(=O)c1ccccc1

HCID67267476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8eff5beac0bc476184806a2901db8621
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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