HRID1216158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1

HCID2734914

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(NCc3cccnc3)cc2n(C)c1=O

HCID59833940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff36d5ecc448492a85a6c25cf6f6793c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:72]1[O:73][CH2:74][CH2:75][O:76][CH2:77]1.[CH:43]([c:44]1[cH:45][cH:46][cH:47][c:48]([CH:49]([CH3:50])[CH3:51])[c:52]1-[n+:53]1[cH:54][cH:55][n:56](-[c:57]2[c:58]([CH:59]([CH3:60])[CH3:61])[cH:62][cH:63][cH:64][c:65]2[CH:66]([CH3:67])[CH3:68])[cH:69]1)([CH3:70])[CH3:71].[Cl-:42].[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.[NH2:34][CH2:35][c:36]1[cH:37][n:38][cH:39][cH:40][cH:41]1>>[c:2]1([NH:34][CH2:35][c:36]2[cH:37][n:38][cH:39][cH:40][cH:41]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