HRID814577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID141397

3-Methylbenzoyl isothiocyanate

C9H7NOS

结构：COc1cc2nccc(Oc3ccc(N)c([N+](=O)[O-])c3)c2cc1OC

HCID21890730

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(C)c4)c([N+](=O)[O-])c3)c2cc1OC

HCID21890175

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d13a614b516440a78ddf5a1fe4bd44dc
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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