HRID2144436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID72879

Methanesulfonamide

CH5NO2S

结构：Cc1cccc([N+](=O)[O-])c1C(=O)OC(=O)c1c(C)cccc1[N+](=O)[O-]

HCID10472648

2-Methyl-6-nitrobenzoic anhydride

C16H12N2O7

结构：CC(C)(C)c1ccccc1OC1CN(C(=O)CCC(=O)O)C1

HCID25242543

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccccc1OC1CN(C(=O)CCC(=O)NS(C)(=O)=O)C1

HCID68512798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-270af725421b4e08a4072b8d712f7e0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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