HRID1563269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15413

Methyl tert-butyl ether

C5H12O

结构：CC(C)(C)S(=O)N=C(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1

HCID72463447

未命名化合物

HCID178507043

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)S(=O)NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1

HCID77171768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b200696826ca430fbd4c69375d007f2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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