HRID1230044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76

3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

C19H28O2

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OC2CCC3(C)C(=CCC4C5CCC(=O)C5(C)CCC43)C2)cc1

HCID13251126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c37995b8e9a430bb62ad752a44bead6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:33][CH2:34][O:35][C:36]([CH3:37])=[O:38].[CH3:46][N:47]([c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1)[CH3:54].[OH2:39].[OH:1][CH:2]1[CH2:3][C:4]2=[CH:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][C:11](=[O:21])[C:12]4([CH3:13])[CH2:14][CH2:15][CH:16]3[C:17]2([CH3:20])[CH2:18][CH2:19]1.[c:22]1([CH3:32])[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[Cl:31])[cH:26][cH:27]1.[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[O:1]([CH:2]1[CH2:3][C:4]2=[CH:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][C:11](=[O:21])[C:12]4([CH3:13])[CH2:14][CH2:15][CH:16]3[C:17]2([CH3:20])[CH2:18][CH2:19]1)[S:28]([c:25]1[cH:24][cH:23][c:22]([CH3:32])[cH:27][cH:26]1)(=[O:29])=[O:30]