查数据/反应详情

HRID670796

反应详情

EQUATION

反应方程式

HRID 670796 的结构方程式

REACTANTS

反应物

3

结构：[Na+]

Sodium ion

Na+

结构：[BH4-]

Tetrahydroborate

H4B-

结构：CC(C)(CC(O)(C=Nc1cccc2c(=O)[nH]ccc12)C(F)(F)F)c1cc(F)cc2c1OCC2

未命名化合物

PRODUCTS

生成物

1

结构：CC(C)(CC(O)(CNc1cccc2c(=O)[nH]ccc12)C(F)(F)F)c1cc(F)cc2c1OCC2

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25d268c017eb4de19dea1326b78aaf07
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH4-:34].[F:1][c:2]1[cH:3][c:4]([C:11]([CH2:12][C:13]([CH:14]=[N:15][c:16]2[c:17]3[cH:18][cH:19][nH:20][c:21](=[O:26])[c:22]3[cH:23][cH:24][cH:25]2)([C:27]([F:28])([F:29])[F:30])[OH:31])([CH3:32])[CH3:33])[c:5]2[c:6]([cH:10]1)[CH2:7][CH2:8][O:9]2.[Na+:35]>>[F:1][c:2]1[cH:3][c:4]([C:11]([CH2:12][C:13]([CH2:14][NH:15][c:16]2[c:17]3[cH:18][cH:19][nH:20][c:21](=[O:26])[c:22]3[cH:23][cH:24][cH:25]2)([C:27]([F:28])([F:29])[F:30])[OH:31])([CH3:32])[CH3:33])[c:5]2[c:6]([cH:10]1)[CH2:7][CH2:8][O:9]2

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