HRID187971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID28123

Tetrahydroborate

H4B-

HCID85570

Tosylate

C7H7O3S-

HCID4989215

Pyridinium

C5H6N+

HCID46942198

未命名化合物

HCID57729257

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(c1nnc(NCc2ccc3c(-c4csc(C)n4)cc(=O)oc3c2)o1)C(F)(F)F

HCID11855091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79d28fe208ed44f9b3dc44760dbb807d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[BH4-:51].[CH3:1][c:2]1[s:3][cH:4][c:5](-[c:7]2[cH:8][c:9](=[O:19])[o:10][c:11]3[cH:12][c:13]([CH:17]=[O:18])[cH:14][cH:15][c:16]23)[n:6]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[NH2:20][c:21]1[n:22][n:23][c:24]([C:26]([C:27]([F:28])([F:29])[F:30])([CH2:31][CH3:32])[OH:33])[o:25]1.[Na+:52].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([O-:40])(=[O:41])=[O:42])[cH:43][cH:44]1.[nH+:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[CH3:1][c:2]1[s:3][cH:4][c:5](-[c:7]2[cH:8][c:9](=[O:19])[o:10][c:11]3[cH:12][c:13]([CH2:17][NH:20][c:21]4[n:22][n:23][c:24]([C:26]([C:27]([F:28])([F:29])[F:30])([CH2:31][CH3:32])[OH:33])[o:25]4)[cH:14][cH:15][c:16]23)[n:6]1