HRID198930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID597250

2,4-Dimethoxybenzylamine

C9H13NO2

HCID15088701

Methyl 2-(bromomethyl)-4-nitrobenzoate

C9H8BrNO4

结构：COc1ccc(CN2Cc3cc([N+](=O)[O-])ccc3C2=O)c(OC)c1

HCID67293384

未命名化合物

PRODUCTS

生成物

HCID59276626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-acb1548845c947d99a8f36a678376cac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:25][CH2:26][c:27]1[cH:28][c:29]([N+:30]([O-:31])=[O:32])[cH:33][cH:34][c:35]1[C:36]([O:37][CH3:38])=[O:39].[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]2[C:7](=[O:18])[c:8]3[cH:9][cH:10][c:11]([N+:15]([O-:16])=[O:17])[cH:12][c:13]3[CH2:14]2)[cH:19][cH:20][c:21]([O:23][CH3:24])[cH:22]1.[CH3:40][O:41][c:42]1[cH:43][c:44]([O:45][CH3:46])[cH:47][cH:48][c:49]1[CH2:50][NH2:51].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:59][OH:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH3:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]2[C:7](=[O:18])[c:8]3[cH:9][cH:10][c:11]([NH2:15])[cH:12][c:13]3[CH2:14]2)[cH:19][cH:20][c:21]([O:23][CH3:24])[cH:22]1