HRID1119892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CC(C)c1nnc2ccc(-c3cn(C4CCNC4)nc3-c3ccc(F)cc3F)nn12

HCID57929865

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)c1nnc2ccc(-c3cn(C4CCN(S(C)(=O)=O)C4)nc3-c3ccc(F)cc3F)nn12

HCID57929854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-781a9e1c18dc41708d288a19150d76d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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