HRID2324417

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

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID78437

Phenanthrene-9-carbaldehyde

C15H10O

HCID498716

未命名化合物

HCID11171430

3-Bromo-2-methylphenol

C7H7BrO

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

HCID150418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-674fbc9f84884197af906ecfb0f03cd7
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

[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].[ClH:49].[Na+:39].[OH2:35].[OH2:53].[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[c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[c:12]([CH:15]=[O:16])[cH:13][c:14]12>>[ClH:49].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[c:12]([CH2:15][NH:23][C:18]([CH3:17])([CH2:19][OH:20])[CH2:21][OH:22])[cH:13][c:14]12