HRID91475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7096

Phenylpiperazine

C10H14N2

HCID8471

Triethylamine

C6H15N

结构：COc1ccc(-c2oc3ccc(CC(=O)O)cc3c2SC)cc1OC

HCID68473283

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2oc3ccc(CC(=O)N4CCN(c5ccccc5)CC4)cc3c2SC)cc1OC

HCID68471151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b880dbf8012e47b2adaaee94c250de56
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

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