HRID936685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID2737134

1-(1-Phenylethyl)piperazine

C12H18N2

结构：CC(Oc1cc(-n2cnc3cnc(COS(C)(=O)=O)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F

HCID86647104

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1cc(-n2cnc3cnc(CN4CCN(C(C)c5ccccc5)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F

HCID178466898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7abe44bcb68144399aa0bbd8c1a37d1f
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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