HRID172210

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID160456

3-Fluoro-4-hydroxybenzoate

C7H5FO3

HCID419889

Ethyl 3-aminopropanoate

C5H11NO2

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

HCID2724700

未命名化合物

PRODUCTS

生成物

HCID59729401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e7a2a3dc59d47ba90888a2012b9a063
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:46]([CH3:47])[O:48][C:49]([CH2:50][CH2:51][NH2:52])=[O:53].[CH2:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH:59]([CH3:60])[CH3:61])[CH3:62].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[Cl-:63].[ClH:45].[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[OH:11].[NH4+:64].[OH2:70].[P-:12]([F:13])([F:14])([F:15])([F:16])([F:17])[F:18].[n:19]1([O:20][P+:21]([N:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)([N:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[N:32]2[CH2:33][CH2:34][CH2:35][CH2:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[F:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:52][CH2:51][CH2:50][C:49]([O:48][CH2:46][CH3:47])=[O:53])[cH:8][cH:9][c:10]1[OH:11]