HRID2124948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(S(=O)(=O)C(NC=O)c2ccc(Br)cc2)cc1

HCID12181677

未命名化合物

结构：[C-]#[N+]C(c1cccc(I)c1)S(=O)(=O)c1ccc(C)cc1

HCID17965763

未命名化合物

结构：Cc1ccc(S(=O)(=O)C(NC=O)c2cccc(I)c2)cc1

HCID85929703

未命名化合物

PRODUCTS

生成物

结构：[C-]#[N+]C(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1

HCID2771757

1-Bromo-4-[isocyano(4-methylbenzene-1-sulfonyl)methyl]benzene

C15H12BrNO2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39f4c2565f5a4f1584208654784b4361
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:21][c:22]1[cH:23][cH:24][c:25]([CH:28]([S:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]2)[NH:39][CH:40]=[O:41])[cH:26][cH:27]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([CH:7]([c:8]2[cH:9][cH:10][cH:11][c:12]([I:13])[cH:14]2)[N+:15]#[C-:16])(=[O:17])=[O:18])[cH:19][cH:20]1.[I:42][c:43]1[cH:44][c:45]([CH:46]([NH:47][CH:48]=[O:49])[S:50]([c:51]2[cH:52][cH:53][c:54]([CH3:55])[cH:56][cH:57]2)(=[O:58])=[O:59])[cH:60][cH:61][cH:62]1>>[Br:21][c:22]1[cH:23][cH:24][c:25]([CH:28]([S:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]2)[N+:39]#[C-:40])[cH:26][cH:27]1