HRID1546288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID31275

1,4-Dioxane

C4H8O2

HCID11564613

3-(4-Methylpiperazin-1-yl)aniline

C11H17N3

结构：CCCc1cccc(CCC)c1-n1cc[n+](-c2c(CCC)cccc2CCC)c1

HCID22314748

未命名化合物

结构：Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(Cl)cc2n(C)c1=O

HCID59833848

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(Nc3cccc(N4CCN(C)CC4)c3)cc2n(C)c1=O

HCID59833910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eef8bfc68c92491f802e2a6f78797ed4
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

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