HRID2149107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID3163333

1-(Propan-2-yl)piperidin-4-amine

C8H18N2

HCID178527414

2-(2-Trichloromethyl-1H-benzoimidazole-5-sulfonyl)-ethanol

C10H9Cl3N2O3S

PRODUCTS

产物

HCID178456285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5640cb3a803b4dab9436feef6836010b
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

[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH:22]([CH3:23])([CH3:24])[N:25]1[CH2:26][CH2:27][CH:28]([NH2:31])[CH2:29][CH2:30]1.[Cl:1][C:2]([c:3]1[n:4][c:5]2[c:6]([nH:7]1)[cH:8][cH:9][c:10]([S:12](=[O:13])(=[O:14])[CH2:15][CH2:16][OH:17])[cH:11]2)([Cl:18])[Cl:19].[Cl:43][CH2:44][Cl:45].[ClH:20].[ClH:21].[Na+:36].[O-:32][C:33]([OH:34])=[O:35].[OH2:42]>>[C:2]([c:3]1[n:4][c:5]2[c:6]([nH:7]1)[cH:8][cH:9][c:10]([S:12](=[O:13])(=[O:14])[CH2:15][CH2:16][OH:17])[cH:11]2)([NH:31][CH:28]1[CH2:27][CH2:26][N:25]([CH:22]([CH3:23])[CH3:24])[CH2:30][CH2:29]1)=[O:32]