HRID205417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID70136

4-(Chloromethyl)benzoyl chloride

C8H6Cl2O

HCID703957

1-(Naphthalene-2-sulfonyl)-piperazine

C14H16N2O2S

PRODUCTS

生成物

结构：O=C(c1ccc(CCl)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

HCID11059046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2efc9314c4d04df385305d6e0a0cb53e
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

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