HRID2152802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID2928799

1-(5-nitropyridin-2-yl)piperazine

C9H12N4O2

结构：NS(=O)(=O)c1cccc(-c2nc(C(F)(F)F)nc(Cl)c2-c2ccccc2)c1

HCID86613621

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1cccc(-c2nc(C(F)(F)F)nc(N3CCN(c4ccc([N+](=O)[O-])cn4)CC3)c2-c2ccccc2)c1

HCID25004371

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3011620747b64d3d9744a1b933577991
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Cl:1][c:2]1[c:3](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:4](-[c:12]2[cH:13][c:14]([S:18](=[O:19])(=[O:20])[NH2:21])[cH:15][cH:16][cH:17]2)[n:5][c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1.[N+:28](=[O:29])([O-:30])[c:31]1[cH:32][cH:33][c:34]([N:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[n:35][cH:36]1.[OH2:43].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[c:2]1([N:40]2[CH2:39][CH2:38][N:37]([c:34]3[cH:33][cH:32][c:31]([N+:28](=[O:29])[O-:30])[cH:36][n:35]3)[CH2:42][CH2:41]2)[c:3](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:4](-[c:12]2[cH:13][c:14]([S:18](=[O:19])(=[O:20])[NH2:21])[cH:15][cH:16][cH:17]2)[n:5][c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1