HRID1549515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID2724700

未命名化合物

HCID16098342

2-Methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanoic acid

C10H10F3NO3

HCID22270653

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CC(c2ccccc2)C(C)NC(=O)C(C)(C)Oc2ccc(C(F)(F)F)cn2)cc1

HCID22270600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-384b685a6dbf4edcab2e7558e82fdd64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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