HRID698937

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

HCID68822399

未命名化合物

结构：CCC(N)C(O)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1

HCID68823849

未命名化合物

PRODUCTS

生成物

结构：CCCC(F)(F)CC(NC(=O)N1CCOCC1)C(=O)NC(CC)C(O)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1

HCID178447798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38538778f1114e35b104d2680fcae750
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:85]([Cl:86])[Cl:87].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[F:65][C:66]([CH2:67][CH:68]([C:69](=[O:70])[OH:71])[NH:72][C:73](=[O:74])[N:75]1[CH2:76][CH2:77][O:78][CH2:79][CH2:80]1)([CH2:81][CH2:82][CH3:83])[F:84].[NH2:43][CH:44]([CH:45]([OH:46])[c:47]1[o:48][c:49](-[c:52]2[cH:53][cH:54][c:55]([O:58][C:59]([F:60])([F:61])[F:62])[cH:56][cH:57]2)[n:50][n:51]1)[CH2:63][CH3:64].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][P+:10]([N:11]2[CH2:12][CH2:13][CH2:14][CH2:15]2)([N:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[N:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[NH:43]([CH:44]([CH:45]([OH:46])[c:47]1[o:48][c:49](-[c:52]2[cH:53][cH:54][c:55]([O:58][C:59]([F:60])([F:61])[F:62])[cH:56][cH:57]2)[n:50][n:51]1)[CH2:63][CH3:64])[C:69]([CH:68]([CH2:67][C:66]([F:65])([CH2:81][CH2:82][CH3:83])[F:84])[NH:72][C:73](=[O:74])[N:75]1[CH2:76][CH2:77][O:78][CH2:79][CH2:80]1)=[O:70]