HRID2158340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1ccccc1-c1ccc([N+](=O)[O-])cc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID18546498

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1-c1ccc(N)cc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID18546507

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7abf599324a84723b240cc15c5a5131e
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

[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([c:17]2[c:18](-[c:26]3[c:27]([CH3:32])[cH:28][cH:29][cH:30][cH:31]3)[cH:19][cH:20][c:21]([N+:23]([O-:24])=[O:25])[cH:22]2)[CH3:33])([CH3:34])[CH3:35])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:36])[F:37].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:38].[OH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([c:17]2[c:18](-[c:26]3[c:27]([CH3:32])[cH:28][cH:29][cH:30][cH:31]3)[cH:19][cH:20][c:21]([NH2:23])[cH:22]2)[CH3:33])([CH3:34])[CH3:35])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:36])[F:37]