HRID136727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(S(=O)(=O)Sc2cc(C)c(CO)cc2C(C)(C)C)cc1

HCID10499026

未命名化合物

HCID54677009

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(SC2=C(O)CC(CCc3ccncc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1CO

HCID54688497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2ef819bc2754f3287a363aa1386a5cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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