HRID1113499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID27695

1-Methyl-1H-indole-2-carboxylic acid

C10H9NO2

HCID81531

Diisopropylethylamine

C8H19N

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID18677094

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2cc3ccccc3n2C)cc1

HCID9888438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13b1df1c86d344ae9f8433c7e7c15467
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

[CH3:21][n:22]1[c:23]([C:31](=[O:32])[OH:33])[cH:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]12.[CH:67]([N:68]([CH2:69][CH3:70])[CH:71]([CH3:72])[CH3:73])([CH3:74])[CH3:75].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:1]1[cH:2][c:3](-[c:7]2[n:8][n:9](-[c:14]3[cH:15][cH:16][c:17]([NH2:20])[cH:18][cH:19]3)[c:10]([CH2:12][CH3:13])[cH:11]2)[cH:4][cH:5][cH:6]1.[n:41]1([O:42][P+:43]([N:44]2[CH2:45][CH2:46][CH2:47][CH2:48]2)([N:49]2[CH2:50][CH2:51][CH2:52][CH2:53]2)[N:54]2[CH2:55][CH2:56][CH2:57][CH2:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[n:1]1[cH:2][c:3](-[c:7]2[n:8][n:9](-[c:14]3[cH:15][cH:16][c:17]([NH:20][C:31]([c:23]4[n:22]([CH3:21])[c:30]5[c:25]([cH:24]4)[cH:26][cH:27][cH:28][cH:29]5)=[O:32])[cH:18][cH:19]3)[c:10]([CH2:12][CH3:13])[cH:11]2)[cH:4][cH:5][cH:6]1