HRID2144440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7477

Benzoyl chloride, 4-methoxy-

C8H7ClO2

HCID8082

Piperidine

C5H11N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COc1ccccc1-c1noc(C)c1C(=O)N1CCN(c2cc(N)c([N+](=O)[O-])cc2Cl)CC1

HCID66691716

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2cc(N3CCN(C(=O)c4c(-c5ccccc5OC)noc4C)CC3)c(Cl)cc2[N+](=O)[O-])cc1

HCID66693771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f18e51ffa07c4cb9954d3b05d09ea17d
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

[CH2:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1.[CH3:34][O:35][c:36]1[cH:37][cH:38][c:39]([C:40](=[O:41])[Cl:42])[cH:43][cH:44]1.[CH3:51][N:52]([c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1)[CH3:59].[NH2:1][c:2]1[c:3]([N+:31](=[O:32])[O-:33])[cH:4][c:5]([Cl:30])[c:6]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]3[c:17](-[c:22]4[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]4)[n:18][o:19][c:20]3[CH3:21])[CH2:12][CH2:13]2)[cH:7]1>>[NH:1]([c:2]1[c:3]([N+:31](=[O:32])[O-:33])[cH:4][c:5]([Cl:30])[c:6]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]3[c:17](-[c:22]4[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]4)[n:18][o:19][c:20]3[CH3:21])[CH2:12][CH2:13]2)[cH:7]1)[C:40]([c:39]1[cH:38][cH:37][c:36]([O:35][CH3:34])[cH:44][cH:43]1)=[O:41]