HRID309780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID2737576

4-Fluoro-2-(trifluoromethyl)benzyl bromide

C8H5BrF4

结构：Nc1ncc(-c2ccc(C(=O)N3CCCC3CN3CCCC3)cc2)cc1O

HCID21111462

未命名化合物

PRODUCTS

生成物

结构：Nc1ncc(-c2ccc(C(=O)N3CCCC3CN3CCCC3)cc2)cc1OCc1ccc(F)cc1C(F)(F)F

HCID21111456

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e00fa1187fe4570b8259b041cde7b42
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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