HRID189530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID119914

2,4-Dichloro-5-methylbenzene-1-sulphonyl chloride

C7H5Cl3O2S

HCID18761520

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(S(=O)(=O)N(C)CCN2CCN(c3nc4ccccc4[nH]3)CC2)c(Cl)cc1Cl

HCID9913117

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53b8e91a3d154fcb972358dfd6122fa4
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

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