HRID2136254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

结构：CON(C)C(=O)c1cc(-c2cccc(S(=O)(=O)NC3CC3)c2)cnc1N

HCID86634544

未命名化合物

HCID178440988

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(C(=O)c2cc(-c3cccc(S(=O)(=O)NC4CC4)c3)cnc2N)cc1

HCID44233344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bad0e64688e64541917e8397345b9f2f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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