HRID1540554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID162362

2-Thiopheneacetyl chloride

C6H5ClOS

结构：O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1

HCID70692344

1-Piperazinecarboxamide, N-(3,4-dichlorophenyl)-4-(3-piperidinylmethyl)-

C17H24Cl2N4O

PRODUCTS

生成物

结构：O=C(Cc1cccs1)N1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1

HCID178520303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00f4861e468d471f8ba1245480cce208
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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