HRID823351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

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

结构：O=C1C=C(O)CC(CCc2ccc(O)cc2)(c2ccccc2)O1

HCID54682287

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(SC2=C(O)CC(CCc3ccc(O)cc3)(c3ccccc3)OC2=O)c(C(C)(C)C)cc1CO

HCID54693800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8864241face24824a985c5194f991db9
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[c:29]([S:37][S:38]([c:39]2[cH:40][cH:41][c:42]([CH3:43])[cH:44][cH:45]2)(=[O:46])=[O:47])[cH:30][c:31]([CH3:36])[c:32]([CH2:34][OH:35])[cH:33]1.[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[ClH:54].[K+:48].[K+:49].[O-:50][C:51]([O-:52])=[O:53].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:1][C:2]1=[CH:3][C:4](=[O:23])[O:5][C:6]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([CH2:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]2)[CH2:7]1>>[OH:1][C:2]1=[C:3]([S:37][c:29]2[c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:33][c:32]([CH2:34][OH:35])[c:31]([CH3:36])[cH:30]2)[C:4](=[O:23])[O:5][C:6]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([CH2:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]2)[CH2:7]1