HRID949183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

HCID1783

Capravirine

C20H20Cl2N4O2S

HCID8148

N-Butyl-1-butanamine

C8H19N

HCID8857

Ethyl acetate

C4H8O2

PRODUCTS

生成物

结构：CCCCN(CCCC)CNC(=O)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1Cc1ccncc1

HCID478199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cd78e0de6c248f69f6e37c9a8c70048
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

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