HRID123928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID227401

2-cycloheptylacetic acid

C9H16O2

HCID854052

未命名化合物

HCID12220344

5-Amino-2-methyl-1(2H)-isoquinolinone

C10H10N2O

PRODUCTS

生成物

HCID24785586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3e7639974ec43778ce5c378b87ab576
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

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