HRID157483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1119

Sulfur dioxide

O2S

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID2763285

5-Bromo-2-chloro-3-fluoropyridine

C5H2BrClFN

结构：CC#CC1CNCCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

HCID86670422

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC#CC1CN(S(=O)(=O)c2cnc(Cl)c(F)c2)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

HCID86670424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7cc2706a90f42aa8bf86ac4bd80c76f
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

[Br:1][c:2]1[cH:3][c:4]([F:9])[c:5]([Cl:8])[n:6][cH:7]1.[CH2:61]([O:62][CH2:63][CH3:64])[CH3:65].[CH3:10][CH2:11][CH2:12][CH2:13][Li:14].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[Cl:18][N:19]1[C:20](=[O:21])[CH2:22][CH2:23][C:24]1=[O:25].[Cl:58][CH2:59][Cl:60].[F:26][C:27]([C:28]([C:29]([F:30])([F:31])[F:32])([OH:33])[c:34]1[cH:35][cH:36][c:37]([N:40]2[CH:41]([C:46]#[C:47][CH3:48])[CH2:42][NH:43][CH2:44][CH2:45]2)[cH:38][cH:39]1)([F:49])[F:50].[O:15]=[S:16]=[O:17]>>[c:2]1([S:16](=[O:15])(=[O:17])[N:43]2[CH2:42][CH:41]([C:46]#[C:47][CH3:48])[N:40]([c:37]3[cH:36][cH:35][c:34]([C:28]([C:27]([F:26])([F:49])[F:50])([C:29]([F:30])([F:31])[F:32])[OH:33])[cH:39][cH:38]3)[CH2:45][CH2:44]2)[cH:3][c:4]([F:9])[c:5]([Cl:8])[n:6][cH:7]1