HRID195311

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID53167

1-Methylpiperazine

C5H12N2

结构：CC1CCN(c2cc3nc(C(C)(C)C)sc3cc2NC(=S)Oc2ccccc2)CC1

HCID19794173

未命名化合物

PRODUCTS

生成物

结构：CC1CCN(c2cc3nc(C(C)(C)C)sc3cc2NC(=S)N2CCN(C)CC2)CC1

HCID19794198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b672c2a18cd4b9a859d6244e1ce638a
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

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