HRID1203509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6561

2-Methylpropanal

C4H8O

HCID28123

Tetrahydroborate

H4B-

结构：NCc1cccc(CN(Cc2ccc(-c3ccc(F)cc3)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1

HCID58531533

未命名化合物

PRODUCTS

生成物

结构：CC(C)CNCc1cccc(CN(Cc2ccc(-c3ccc(F)cc3)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1

HCID58531377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12b2c7095ba3451ba9c3491426430b3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[BH4-:42].[CH3:44][OH:45].[CH:37]([CH:38]([CH3:39])[CH3:40])=[O:41].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([CH2:6][N:7]([S:8](=[O:9])(=[O:10])[c:11]2[c:12]([OH:19])[c:13]([Cl:18])[cH:14][c:15]([Cl:17])[cH:16]2)[CH2:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[cH:25][cH:26]2)[cH:34][cH:35][cH:36]1.[Na+:43]>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([CH2:6][N:7]([S:8](=[O:9])(=[O:10])[c:11]2[c:12]([OH:19])[c:13]([Cl:18])[cH:14][c:15]([Cl:17])[cH:16]2)[CH2:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[cH:25][cH:26]2)[cH:34][cH:35][cH:36]1)[CH2:37][CH:38]([CH3:39])[CH3:40]