HRID104194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID2779652

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxylic acid

C6H7ClN2O2

结构：CNc1ccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)cc1

HCID21891691

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)c(Cl)c1C(=O)N(C)c1ccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)cc1

HCID86590834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c53e18434e584bddaf81772936a73ff8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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