HRID2129897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

2 次

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID7408

(1-Aminoethyl)benzene

C8H11N

HCID7914

Isopropyl ether

C6H14O

HCID2724942

未命名化合物

HCID21035403

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID21035402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed76f0581a744ce8b6e877f4817118e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:25]([O:26][BH-:27]([O:28][C:29](=[O:30])[CH3:31])[O:32][C:33](=[O:34])[CH3:35])(=[O:36])[CH3:37].[CH3:16][CH:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[NH2:24].[CH3:39][C:40](=[O:41])[OH:42].[CH3:44][OH:45].[CH3:56][OH:57].[CH:46]([O:47][CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:53][CH2:54][Cl:55].[ClH:43].[Na+:38].[O:1]=[C:2]([CH2:3][c:4]1[cH:5][c:6]([CH2:10][C:11](=[O:12])[O:13][CH3:14])[cH:7][cH:8][cH:9]1)[CH3:15]>>[CH:2]([CH2:3][c:4]1[cH:5][c:6]([CH2:10][C:11](=[O:12])[O:13][CH3:14])[cH:7][cH:8][cH:9]1)([CH3:15])[NH:24][CH:17]([CH3:16])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[ClH:43]