HRID2311496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID472107

(1H-Indol-3-yl)methanamine

C9H10N2

HCID2724942

未命名化合物

HCID11424492

4-dimethylamino-4-phenylcyclohexanone

C14H19NO

PRODUCTS

产物

反应SMILES：CN(C)C1(c2ccccc2)CCC(NCc2c[nH]c3ccccc23)CC1

HCID9924406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-98dfb055c3034cfab1b80d81424e3702
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:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:12][N:13]([C:14]1([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:15][CH2:16][C:17](=[O:20])[CH2:18][CH2:19]1)[CH3:27].[CH3:28][C:29](=[O:30])[OH:31].[Cl:46][CH2:47][CH2:48][Cl:49].[Na+:45].[OH2:50].[nH:1]1[cH:2][c:3]([CH2:10][NH2:11])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[cH:2][c:3]([CH2:10][NH:11][CH:17]2[CH2:16][CH2:15][C:14]([N:13]([CH3:12])[CH3:27])([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:19][CH2:18]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12