HRID2336316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID110862

2,6-Dimethyl morpholine

C6H13NO

结构：Cc1ccc(S(=O)(=O)n2ncc3c(NC(=O)c4csc(CCl)n4)cc(Br)cc32)cc1

HCID58255773

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ncc3c(NC(=O)c4csc(CN5CC(C)OC(C)C5)n4)cc(Br)cc32)cc1

HCID178427405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84f262c15b834d4cb749be37c76ea302
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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