HRID1545608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID86633423

未命名化合物

HCID178491232

未命名化合物

PRODUCTS

产物

HCID68687075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3494fc61e3234a48bf9521a93fc12b09
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:18](#[N:19])[c:20]1[cH:21][c:22]([C:27]#[C:28][CH2:29][NH2+:30][CH2:31][c:32]2[c:33]([O:40][CH3:41])[cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)[cH:23][cH:24][c:25]1[F:26].[CH3:47][C:48]#[N:49].[Cl-:17].[Cl:1][c:2]1[cH:3][c:4]([C:7]([O:9][N:8]2[C:10](=[O:11])[CH2:12][CH2:13][C:14]2=[O:15])=[O:16])[nH:5][cH:6]1.[Na+:46].[O-:42][C:43]([OH:44])=[O:45].[OH2:50]>>[Cl:1][c:2]1[cH:3][c:4]([C:7](=[O:9])[N:30]([CH2:29][C:28]#[C:27][c:22]2[cH:21][c:20]([C:18]#[N:19])[c:25]([F:26])[cH:24][cH:23]2)[CH2:31][c:32]2[c:33]([O:40][CH3:41])[cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)[nH:5][cH:6]1