HRID212307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID13553921

2-(2-Methylpropyl)piperazine

C8H18N2

结构：O=S(=O)(Cl)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1

HCID23513737

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC1CN(S(=O)(=O)c2cc3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2)CCN1

HCID22711022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdf1aa15a45a42ac80e95b23da56f0b5
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

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