HRID1210504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID31275

1,4-Dioxane

C4H8O2

HCID736269

1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one

C12H17N3O

结构：Cc1ccc(S(=O)(=O)n2ccc3c(Nc4cccc(C(N)=O)c4)nc(Cl)nc32)cc1

HCID57990401

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2ccc(Nc3nc(Nc4cccc(C(N)=O)c4)c4ccn(S(=O)(=O)c5ccc(C)cc5)c4n3)cc2)CC1

HCID57990288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-330619fdb0294e88a45d41b08af333f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:47][Si:48]([Cl:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[n:3][c:4]([NH:21][c:22]2[cH:23][c:24]([C:25](=[O:26])[NH2:27])[cH:28][cH:29][cH:30]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]1)[cH:9][cH:10]2.[NH2:31][c:32]1[cH:33][cH:34][c:35]([N:38]2[CH2:39][CH2:40][N:41]([C:44]([CH3:45])=[O:46])[CH2:42][CH2:43]2)[cH:36][cH:37]1.[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1>>[c:2]1([NH:31][c:32]2[cH:33][cH:34][c:35]([N:38]3[CH2:39][CH2:40][N:41]([C:44]([CH3:45])=[O:46])[CH2:42][CH2:43]3)[cH:36][cH:37]2)[n:3][c:4]([NH:21][c:22]2[cH:23][c:24]([C:25](=[O:26])[NH2:27])[cH:28][cH:29][cH:30]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]1)[cH:9][cH:10]2