HRID1227932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID8083

Morpholine

C4H9NO

HCID28123

Tetrahydroborate

H4B-

反应SMILES：CN(C)C1(c2ccc(Cl)cc2)CCC(=O)CC1

HCID12595650

4-(4-Chlorophenyl)-4-(dimethylamino)cyclohexan-1-one

C14H18ClNO

PRODUCTS

产物

反应SMILES：CN(C)C1(c2ccc(Cl)cc2)CCC(N2CCOCC2)CC1

HCID15586321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5be4be610340430da1f49990bba995b0
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

[BH4-:35].[CH2:18]1[CH2:19][O:20][CH2:21][CH2:22][NH:23]1.[CH3:38][CH2:39][O:40][CH2:41][CH3:42].[CH3:43][CH2:44][OH:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([N:15]([CH3:16])[CH3:17])[CH2:9][CH2:10][C:11](=[O:14])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[Na+:36].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:37].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1.[cH:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([N:15]([CH3:16])[CH3:17])[CH2:9][CH2:10][CH:11]([N:23]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1