HRID320113

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

HCID2832231

1-Amino-3-(morpholin-4-yl)propan-2-ol

C7H16N2O2

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

HCID66695668

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccccc1)n1ncc2c(-c3nnc(CNCC(O)CN4CCOCC4)o3)cc(Br)cc21

HCID66693974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24dbb7cc8884415799bd21fce1fcbb5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4](-[c:20]2[o:21][c:22]([CH2:25][Cl: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.[CH3:49][C:50]#[N:51].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:52][CH2:53][Cl:54].[I-:28].[NH2:29][CH2:30][CH:31]([CH2:32][N:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1)[OH:39].[Na+:27]>>[Br:1][c:2]1[cH:3][c:4](-[c:20]2[o:21][c:22]([CH2:25][NH:29][CH2:30][CH:31]([CH2:32][N:33]3[CH2:34][CH2:35][O:36][CH2:37][CH2:38]3)[OH:39])[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