HRID1572687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)NCC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1

HCID77148443

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(CC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1)S(C)(=O)=O

HCID77148423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc76933543a249c290bb8df87fd961f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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