HRID697986

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID2777251

2-(Trifluoromethoxy)benzylamine

C8H8F3NO

结构：CC(C)(C)OC(=O)N1CCC(CNc2cc(Cl)ncc2[N+](=O)[O-])CC1

HCID58712683

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CNc2cc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1

HCID58712684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a09bde79dd48499f88f03c94f9494941
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[cH:17][c:18]([Cl:25])[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1.[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[F:26][C:27]([O:28][c:29]1[c:30]([CH2:31][NH2:32])[cH:33][cH:34][cH:35][cH:36]1)([F:37])[F:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[cH:17][c:18]([NH:32][CH2:31][c:30]3[c:29]([O:28][C:27]([F:26])([F:37])[F:38])[cH:36][cH:35][cH:34][cH:33]3)[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1