HRID124824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID166653

Hydride

H-

HCID16686348

未命名化合物

反应SMILES：CC(=O)Oc1c(C(C)(C)C)cc2c(c1C(C)(C)C)CC(C)(COc1ccc([N+](=O)[O-])cc1)O2

HCID23288029

未命名化合物

PRODUCTS

产物

反应SMILES：CC1(COc2ccc([N+](=O)[O-])cc2)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1

HCID15485731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-71becafc190945e286cd187d57c8ec3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:1](=[O:2])([CH3:3])[O:4][c:5]1[c:6]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:7][c:8]2[c:9]([c:25]1[C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:10][C:11]([CH2:13][O:14][c:15]1[cH:16][cH:17][c:18]([N+:21](=[O:22])[O-:23])[cH:19][cH:20]1)([CH3:24])[O:12]2.[CH2:35]([Al+:36][CH2:37][CH:38]([CH3:39])[CH3:40])[CH:41]([CH3:42])[CH3:43].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[Cl-:44].[ClH:46].[H-:34].[NH4+:45]>>[OH:4][c:5]1[c:6]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:7][c:8]2[c:9]([c:25]1[C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:10][C:11]([CH2:13][O:14][c:15]1[cH:16][cH:17][c:18]([N+:21](=[O:22])[O-:23])[cH:19][cH:20]1)([CH3:24])[O:12]2