HRID188503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID16793683

未命名化合物

HCID22019698

未命名化合物

PRODUCTS

产物

HCID178511355

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-175b9ac895044daeaab6f4906739a1f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH2:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH:26]([CH3:27])[CH3:28])[CH3:29].[CH3:41][C:42]#[N:43].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]2[CH:13]([C:18](=[O:19])[OH:20])[CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7]1.[NH2:30][CH:31]([C:32]#[N:33])[c:34]1[cH:35][c:36]([OH:40])[cH:37][cH:38][cH:39]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]2[CH:13]([C:18](=[O:20])[NH:30][CH:31]([C:32]#[N:33])[c:34]3[cH:35][c:36]([OH:40])[cH:37][cH:38][cH:39]3)[CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7]1