HRID2341603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID518700

未命名化合物

结构：CC(=O)OCC(C)=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C

HCID54423729

未命名化合物

PRODUCTS

生成物

结构：CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC=C(C)CSc1ccccc1

HCID53669165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbe95fb9f63e4efb81eca661df95fc53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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