HRID199191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID10515641

2,4,6-TRIISOPROPYLPHENYLACETIC ACID

C17H26O2

结构：CC(C)c1cc([N+](=O)[O-])cc(C(C)C)c1OS(N)(=O)=O

HCID18698845

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cc([N+](=O)[O-])cc2C(C)C)c(C(C)C)c1

HCID10209327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27dcb97c4b1946d8b77e090c2c782e62
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

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