HRID122329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1

HCID280312

ethyl 5-nitroindole-2-carboxylate

C11H10N2O4

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

HCID2724700

未命名化合物

PRODUCTS

生成物

HCID351291

5-Nitroindole-2-carboxylic acid

C9H6N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1c396a709fe4bddaba6be57e3de25e7
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

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