HRID2123900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID605908

[4-(trifluoromethoxy)phenyl]hydrazine

C7H7F3N2O

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCC(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1

HCID22048863

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCC(=NNc3ccc(OC(F)(F)F)cc3)c3ccc([N+](=O)[O-])cc3)CC2)c1

HCID72382741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3af7201daf9643b89f797e2b1868d6f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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