HRID1121239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CN(C)C(On1nnc2ccccc21)=[N+](C)C

HCID130500

未命名化合物

HCID18468721

Isoquinoline-7-carboxylic acid

C10H7NO2

反应SMILES：CCc1cccc(CNCC(O)C(N)Cc2cc(F)cc(F)c2)c1

HCID21865731

未命名化合物

PRODUCTS

产物

反应SMILES：CCc1cccc(CNCC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2ccc3ccncc3c2)c1

HCID21086960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-16bdca828b99413c8755fcf904c64afd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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