HRID2345510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID14567861

3-Bromo-5-(bromomethyl)benzonitrile

C8H5Br2N

反应SMILES：CC(C)(C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2

HCID58409094

Tert-butyl 2-(2,2-dimethylchroman-6-sulfonamido)acetate

C17H25NO5S

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)CN(Cc1cc(Br)cc(C#N)c1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2

HCID67332161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9210aa1fb54d4d7d996205ad75ae7131
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:25][c:26]1[cH:27][c:28]([C:29]#[N:30])[cH:31][c:32]([CH2:34][Br:35])[cH:33]1.[CH3:1][C:2]1([CH3:24])[O:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[NH:15][CH2:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[cH:8][c:9]2[CH2:10][CH2:11]1.[CH3:36][C:37]#[N:38]>>[CH3:1][C:2]1([CH3:24])[O:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[N:15]([CH2:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:34][c:32]3[cH:31][c:28]([C:29]#[N:30])[cH:27][c:26]([Br:25])[cH:33]3)[cH:8][c:9]2[CH2:10][CH2:11]1