HRID187529

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID2760919

Cyclopropanesulfonyl chloride

C3H5ClO2S

结构：CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3ccnc(Cl)n3)cn2)CC1

HCID86637283

未命名化合物

PRODUCTS

生成物

结构：N#CCC1(n2cc(-c3ccnc(Cl)n3)cn2)CCN(S(=O)(=O)C2CC2)CC1

HCID86637287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b623d487fac4abfa10454a1acf603d3
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

[CH2:50]([Cl:51])[Cl:52].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH:37]1([S:40](=[O:41])(=[O:42])[Cl:43])[CH2:38][CH2:39]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][n:11]([C:13]3([CH2:26][C:27]#[N:28])[CH2:14][CH2:15][N:16]([C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:17][CH2:18]3)[cH:12]2)[n:7]1.[ClH:29].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][n:11]([C:13]3([CH2:26][C:27]#[N:28])[CH2:14][CH2:15][N:16]([S:40]([CH:37]4[CH2:38][CH2:39]4)(=[O:41])=[O:42])[CH2:17][CH2:18]3)[cH:12]2)[n:7]1