HRID292057

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID78013

Piperazine, 1-isopropyl-

C7H16N2

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)C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F

HCID178466899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44909635447a4dceafb372308107d837
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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].[CH:37]([CH3:38])([CH3:39])[N:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1.[Cl:46][CH2:47][Cl:48]>>[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:43]1[CH2:42][CH2:41][N:40]([CH:37]([CH3:38])[CH3:39])[CH2:45][CH2:44]1