HRID681588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID57428804

未命名化合物

结构：CS(=O)(=O)c1ncc(Br)c(-c2nc3ccncc3s2)n1

HCID60204372

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2nc3ccncc3s2)n1

HCID60204370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd67bacd33c04ba8b60cd8e73ca7a92d
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:1][c:2]1[c:3](-[c:12]2[s:13][c:14]3[cH:15][n:16][cH:17][cH:18][c:19]3[n:20]2)[n:4][c:5]([S:8]([CH3:9])(=[O:10])=[O:11])[n:6][cH:7]1.[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[CH:42]([OH:43])([CH3:44])[CH3:45].[NH2:21][CH2:22][CH2:23][N:24]1[C:25](=[O:32])[NH:26][C:27](=[O:31])[C:28]1([CH3:29])[CH3:30]>>[Br:1][c:2]1[c:3](-[c:12]2[s:13][c:14]3[cH:15][n:16][cH:17][cH:18][c:19]3[n:20]2)[n:4][c:5]([NH:21][CH2:22][CH2:23][N:24]2[C:25](=[O:32])[NH:26][C:27](=[O:31])[C:28]2([CH3:29])[CH3:30])[n:6][cH:7]1