HRID179819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

2 次

HCID1531

1,3-Propanediol, 2-amino-2-methyl-

C4H11NO2

HCID3283

Diethyl Ether

C4H10O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID69504

9-Anthracenecarboxaldehyde

C15H10O

HCID498716

未命名化合物

HCID11171430

3-Bromo-2-methylphenol

C7H7BrO

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID13375279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39541b72141943e8bf4809280405dea3
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

[Br:40][c:41]1[cH:42][cH:43][cH:44][c:45]([OH:46])[c:47]1[CH3:48].[C:36]([BH3-:37])#[N:38].[CH3:17][C:18]([CH2:19][OH:20])([CH2:21][OH:22])[NH2:23].[CH3:50][CH2:51][OH:52].[CH3:53][CH2:54][O:55][CH2:56][CH3:57].[ClH:49].[Na+:39].[OH2:35].[OH2:58].[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:1]1[cH:2][cH:3][cH:4][c:5]2[cH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]3[c:13]([CH:15]=[O:16])[c:14]12>>[ClH:49].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[cH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]3[c:13]([CH2:15][NH:23][C:18]([CH3:17])([CH2:19][OH:20])[CH2:21][OH:22])[c:14]12