HRID1560382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：N#Cc1ccc(N2C(=O)C3(CCC3)N(c3ccc(CCCC(N)=O)cc3)C2=S)cc1C(F)(F)F

HCID15951523

未命名化合物

结构：N#Cc1ccc(N2C(=O)C3(CCC3)N(c3ccc(CCCC[NH-])cc3)C2=S)cc1C(F)(F)F

HCID154433925

未命名化合物

PRODUCTS

生成物

结构：N#CCCCc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1

HCID15951627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90f7fcce0dc247418586fbcc403a022c
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

[C:11](#[N:12])[c:13]1[c:14]([C:41]([F:42])([F:43])[F:44])[cH:15][c:16]([N:19]2[C:20](=[S:40])[N:21]([c:28]3[cH:29][cH:30][c:31]([CH2:34][CH2:35][CH2:36][C:37](=[O:38])[NH2:39])[cH:32][cH:33]3)[C:22]3([CH2:23][CH2:24][CH2:25]3)[C:26]2=[O:27])[cH:17][cH:18]1.[C:45]([c:46]1[cH:47][cH:48][c:49]([N:50]2[C:51](=[O:52])[C:53]3([CH2:54][CH2:55][CH2:56]3)[N:57]([c:58]3[cH:59][cH:60][c:61]([CH2:62][CH2:63][CH2:64][CH2:65][NH-:66])[cH:67][cH:68]3)[C:69]2=[S:70])[cH:71][c:72]1[C:73]([F:74])([F:75])[F:76])#[N:77].[CH3:1][S:2]([CH3:3])=[O:4].[CH3:78][CH2:79][N:80]([CH2:81][CH3:82])[CH2:83][CH3:84].[Cl:5][C:6]([C:7]([Cl:8])=[O:9])=[O:10].[Cl:85][CH2:86][Cl:87]>>[C:11](#[N:12])[c:13]1[c:14]([C:41]([F:42])([F:43])[F:44])[cH:15][c:16]([N:19]2[C:20](=[S:40])[N:21]([c:28]3[cH:29][cH:30][c:31]([CH2:34][CH2:35][CH2:36][C:37]#[N:39])[cH:32][cH:33]3)[C:22]3([CH2:23][CH2:24][CH2:25]3)[C:26]2=[O:27])[cH:17][cH:18]1