HRID682298

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID312485

TERT-BUTYL 3-HYDROXYPHENYLCARBAMATE

C11H15NO3

结构：O=[N+]([O-])c1cnc(Cl)cc1Nc1ccc(OCc2ccccc2)cc1

HCID86045153

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cccc(Oc2cc(Nc3ccc(OCc4ccccc4)cc3)c([N+](=O)[O-])cn2)c1

HCID86623350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c858932e267545b38325a532fa419ebc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[Cl:18][c:19]1[n:20][cH:21][c:22]([N+:40](=[O:41])[O-:42])[c:23]([NH:25][c:26]2[cH:27][cH:28][c:29]([O:32][CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:30][cH:31]2)[cH:24]1.[H-:17].[Na+:16].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:43].[OH:1][c:2]1[cH:3][c:4]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[cH:5][cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][c:4]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[cH:5][cH:6][cH:7]1)[c:19]1[n:20][cH:21][c:22]([N+:40](=[O:41])[O-:42])[c:23]([NH:25][c:26]2[cH:27][cH:28][c:29]([O:32][CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:30][cH:31]2)[cH:24]1