HRID688922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11150146

3-Bromomethyl-5-(5-chloro-thiophen-2-yl)-isoxazole

C8H5BrClNOS

结构：COC(=O)c1sc(OCC(F)(F)F)c2nc(C(=O)NC3CCN(C(C)C)CC3)[nH]c12

HCID178499368

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(OCC(F)(F)F)c2nc(C(=O)NC3CCN(C(C)C)CC3)n(Cc3cc(-c4ccc(Cl)s4)on3)c12

HCID67012288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cc86f2ed9204a80a6c6a407189e5467
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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