HRID686114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID23081081

未命名化合物

HCID23081234

未命名化合物

PRODUCTS

生成物

结构：CC(O)(COC(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

HCID69479538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f905f3431134a08b84bb0377dabe1cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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