HRID187701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate Ion

CO3-2

HCID85725

2-Ethylamino-1-(4′-methoxyphenyl)propane

C12H19NO

HCID2776270

Benzyl 4-(chlorocarbonyl)piperidine-1-carboxylate

C14H16ClNO3

PRODUCTS

产物

HCID18352914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-22e270304148441ca2653fae8df7652c
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

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