HRID662773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID88552

Ethyl 1,3-dithiane-2-carboxylate

C7H12O2S2

HCID166653

Hydride

H-

HCID59712454

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(Cc2ccc(OC)c(CNC(=O)OC(C)(C)C)c2)SCCCS1

HCID59712358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c521cbeddd9544fe9e511ab9623bdbe9
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

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