HRID93733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4837

Piperazine

C4H10N2

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)Cl

HCID72455720

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCNCC1

HCID178466264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ac38036e8c2435da68fd81945ffd6c1
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

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