HRID145802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID557

1-methylpyrrolidine-2-carboxylic acid

C6H11NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7892

2-Methylpentane

C6H14

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCCNC1

HCID10453762

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCCN(C(=O)C2CCCN2C)C1

HCID178486853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b49af079a6664dfa8afa4aea2f2c2ba0
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

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