HRID294453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID8058

Hexane

C6H14

HCID21947947

未命名化合物

PRODUCTS

产物

HCID10275813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-65900c8815c5425886a5f2ec38a0bd96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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