HRID292956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7932

3-Chloroaniline

C6H6ClN

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID2724700

未命名化合物

HCID2735642

[4-(tert-Butoxycarbonyl)piperazin-1-yl]acetic acid

C11H20N2O4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cccc(Cl)c2)CC1

HCID34196462

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94f81829be0d44cc8b42fef46597e74b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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