HRID690284

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID24264346

未命名化合物

结构：O=S(=O)(c1ccccc1)n1ncc2c(-c3nnc(CBr)o3)cc(Br)cc21

HCID66776966

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1C(C)CN(Cc2nnc(-c3cc(Br)cc4c3cnn4S(=O)(=O)c3ccccc3)o2)CC1C

HCID77188995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd4f4a48cf8d4386b9bd9c0349d86a33
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[cH:3][c:4](-[c:20]2[o:21][c:22]([CH2:25][Br:26])[n:23][n:24]2)[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:9]2[cH:10]1.[CH3:27][CH:28]1[N:29]([CH:35]([CH3:36])[CH3:37])[CH:30]([CH3:34])[CH2:31][NH:32][CH2:33]1.[CH3:49][C:50]#[N:51].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:52][CH2:53][Cl:54].[I-:48].[Na+:47]>>[Br:1][c:2]1[cH:3][c:4](-[c:20]2[o:21][c:22]([CH2:25][N:32]3[CH2:31][CH:30]([CH3:34])[N:29]([CH:35]([CH3:36])[CH3:37])[CH:28]([CH3:27])[CH2:33]3)[n:23][n:24]2)[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:9]2[cH:10]1