HRID211125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID142785

4-(Trifluoromethoxy)benzyl bromide

C8H6BrF3O

结构：CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC(=O)COc3ccccc3)c2)CC1

HCID68463643

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N(Cc3ccc(OC(F)(F)F)cc3)C(=O)COc3ccccc3)c2)CC1

HCID68465429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61ea5eeb6e984f2280380f8f55ffcac5
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

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