HRID171831

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：CC(C)(C)OC(=O)NCCCNc1c([N+](=O)[O-])c(OS(=O)(=O)C(F)(F)F)nc2ccccc12

HCID86626290

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc3ccccc3c(NCCCNC(=O)OC(C)(C)C)c2[N+](=O)[O-])cc1

HCID66813901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-988ebd6f80be4c3cad7e616def1f1947
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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