HRID208191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID4101

Methenamine

C6H12N4

HCID7918

Acetic anhydride

C4H6O3

HCID8857

Ethyl acetate

C4H8O2

HCID4085960

未命名化合物

HCID15842245

未命名化合物

PRODUCTS

生成物

HCID22499222

2-Methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-1-one

C14H16O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff8de976624441c8bf9196bc72a479f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:15]1[N:16]2[CH2:17][N:18]3[CH2:19][N:20]([CH2:21]2)[CH2:22][N:23]1[CH2:24]3.[CH3:25][C:26]([O:27][C:28](=[O:29])[CH3:30])=[O:31].[CH3:39][CH:40]1[C:41](=[O:53])[c:42]2[c:43]([c:44]3[c:49]([cH:50][cH:51]2)[CH2:48][CH2:47][CH2:46][CH2:45]3)[CH2:52]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Na+:33].[OH-:32].[OH2:54].[S:34](=[O:35])(=[O:36])([OH:37])[OH:38].[cH:1]1[c:2]2[c:7]([cH:8][cH:9][c:10]1[C:11](=[O:12])[CH2:13][CH3:14])[CH2:6][CH2:5][CH2:4][CH2:3]2>>[CH3:39][CH:40]1[C:41](=[O:53])[c:42]2[c:43]([cH:44][c:49]3[c:50]([cH:51]2)[CH2:45][CH2:46][CH2:47][CH2:48]3)[CH2:52]1