HRID148558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID5107723

未命名化合物

结构：NC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1

HCID16202211

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CCN1C1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1

HCID57885676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09f48e1a0d9a4640b8daff453b81a03c
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

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