HRID2336078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID714952

Bis(4-methoxybenzyl)amine

C16H19NO2

结构：Cc1nc(Cl)c([N+](=O)[O-])c(NCc2cc(-c3ccc(F)cc3)no2)c1C

HCID86616888

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(C)c(NCc3cc(-c4ccc(F)cc4)no3)c2[N+](=O)[O-])cc1

HCID69450751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f87e5574f05340e4ad787a0a03a432ec
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

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