HRID2347862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CC(C)(C)OC(=O)CNC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1

HCID69053878

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CNC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1

HCID57885568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-923a1606ac08400f9e9bef54a91c380d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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