HRID1136091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID66853

Benzenemethanamine, 3-fluoro-

C7H8FN

HCID81531

Diisopropylethylamine

C8H19N

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

HCID2724700

未命名化合物

HCID11831237

2-(2-Fluoro-[1,1'-biphenyl]-4-yl)acetic acid

C14H11FO2

PRODUCTS

生成物

结构：O=C(Cc1ccc(-c2ccccc2)c(F)c1)NCc1cccc(F)c1

HCID11580859

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d01b4ad988b542318df70e80cf3b3e06
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

[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[F:18][c:19]1[cH:20][c:21]([CH2:22][NH2:23])[cH:24][cH:25][cH:26]1.[F:1][c:2]1[c:3](-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:4][cH:5][c:6]([CH2:8][C:9](=[O:10])[OH:11])[cH:7]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[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>>[F:1][c:2]1[c:3](-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:4][cH:5][c:6]([CH2:8][C:9](=[O:11])[NH:23][CH2:22][c:21]2[cH:20][c:19]([F:18])[cH:26][cH:25][cH:24]2)[cH:7]1