HRID1539230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10482

Acetyl bromide

C2H3BrO

HCID28123

Tetrahydroborate

H4B-

结构：COC(=O)C(=C(C)C)N1C(=O)C(OC(=O)COc2ccccc2)C1SSc1nc2ccccc2s1

HCID178500402

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(=C(C)C)N1C(=O)C(OC(=O)COc2ccccc2)C1SC(C)=O

HCID178500401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c2cbfdb1cd545639e8abe12e4403e56
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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