HRID1575322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccc(Cl)c(F)c2)CC1

HCID66618044

未命名化合物

HCID68520389

未命名化合物

PRODUCTS

生成物

结构：CC1CC(O)c2ncnc(N3CCN(C(=O)C4(c5ccc(Cl)c(F)c5)CCN(C(=O)OC(C)(C)C)CC4)CC3)c21

HCID178428896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f54de7a11cd43958a82af31b1d66584
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

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