查数据/反应详情

HRID95154

反应详情

EQUATION

反应方程式

HRID 95154 的结构方程式

REACTANTS

反应物

3

结构：CN(C)CCO

Dimethylaminoethanol

C4H11NO

结构：[Na]

Sodium

Na

结构：COc1ccc(C(=C(c2ccc(OC)cc2)C(F)(F)F)c2ccc(F)cc2)cc1

未命名化合物

PRODUCTS

生成物

1

结构：COc1ccc(C(=C(c2ccc(OC)cc2)C(F)(F)F)c2ccc(OCCN(C)C)cc2)cc1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd1c998f72924b81b7317b8cb613356f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:2][N:3]([CH2:4][CH2:5][OH:6])[CH3:7].[F:8][c:9]1[cH:10][cH:11][c:12]([C:15](=[C:16]([C:17]([F:18])([F:19])[F:20])[c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[cH:13][cH:14]1.[Na:1]>>[CH3:2][N:3]([CH2:4][CH2:5][O:6][c:9]1[cH:10][cH:11][c:12]([C:15](=[C:16]([C:17]([F:18])([F:19])[F:20])[c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[cH:13][cH:14]1)[CH3:7]

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