HRID687620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)OC(=O)N(c1ccc(S(C)(=O)=O)cc1F)c1ncnc(Cl)c1CCOS(C)(=O)=O

HCID86637380

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(N2CCc3c(Cl)ncnc32)c(F)c1

HCID42636822

4-Chloro-7-[2-fluoro-4-(methanesulfonyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

C13H11ClFN3O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8ac404c51f7426b9aeec980edf7f0e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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