HRID88486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7677

1-Piperazineethanol

C6H14N2O

HCID24648

Sulfuryl chloride

Cl2O2S

结构：CCCc1nc(C)n2c(=O)[nH]c(-c3ccccc3OCC)nc12

HCID135475879

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C)n2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCO)CC4)ccc3OCC)nc12

HCID135462852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-612a6bbbb1a341aca812126843e6c20a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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