HRID169765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14917

Hydrogen fluoride

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CC(=O)OCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)O

HCID67051092

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1nc2c[n+]([O-])c3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)O

HCID67050977

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65569df5ad2f4f11908f5717c6adddff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:2]([CH3:3])(=[O:4])[O:5][CH2:6][c:7]1[n:8]([CH2:28][C:29]([CH3:30])([CH3:31])[OH:32])[c:9]2[c:10]([cH:11][n:12][c:13]3[cH:14][c:15]([O:19][CH2:20][c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[cH:16][cH:17][c:18]23)[n:27]1.[CH3:50][OH:51].[FH:1].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:44].[OH:33][O:34][C:35]([c:36]1[cH:37][c:38]([Cl:39])[cH:40][cH:41][cH:42]1)=[O:43]>>[C:2]([CH3:3])(=[O:4])[O:5][CH2:6][c:7]1[n:8]([CH2:28][C:29]([CH3:30])([CH3:31])[OH:32])[c:9]2[c:10]([cH:11][n+:12]([O-:33])[c:13]3[cH:14][c:15]([O:19][CH2:20][c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[cH:16][cH:17][c:18]23)[n:27]1