HRID2346919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID226199

5-Phenyl-1H-pyrrole-2-carboxylic acid

C11H9NO2

HCID3163333

1-isopropylpiperidin-4-amine

C8H18N2

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：CC(C)N1CCC(NC(=O)c2ccc(-c3ccccc3)[nH]2)CC1

HCID86611037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc24975e8e1c4b48bd2f6dfe53396759
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([NH2:10])[CH2:8][CH2:9]1.[Cl:58][CH2:59][Cl:60].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[c:44]1(-[c:50]2[cH:51][cH:52][c:53]([C:55](=[O:56])[OH:57])[nH:54]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1.[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([NH:10][C:55]([c:53]2[cH:52][cH:51][c:50](-[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[nH:54]2)=[O:56])[CH2:8][CH2:9]1