HRID2341245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：O=C(O)c1ccc(OCCCN2CCN(C3CC3)CC2)c(F)c1

HCID57555272

未命名化合物

HCID135741977

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc2c1Nc1ccccc1N(C(=O)c1ccc(OCCCN3CCN(C4CC4)CC3)c(F)c1)C2

HCID135736005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da54bb06b29c48bdad39b6f9fe01601a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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