HRID159873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate Ion

CO3-2

HCID19844

Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester

C9H10O4

HCID9910586

未命名化合物

PRODUCTS

产物

HCID24962320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f18ff2129bc14b558f80555dfb700a6b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[C:42](=[O:43])([O-:44])[O-:45].[CH3:29][O:30][C:31](=[O:32])[c:33]1[cH:34][cH:35][c:36]([OH:37])[c:38]([O:39][CH3:40])[cH:41]1.[CH3:48][C:49]#[N:50].[Cl:1][c:2]1[n:3][c:4]([C:25]([F:26])([F:27])[F:28])[n:5][c:6](-[c:15]2[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:19][cH:20]2)[c:7]1-[c:8]1[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]1.[K+:46].[K+:47].[OH2:51]>>[c:2]1([O:37][c:36]2[cH:35][cH:34][c:33]([C:31]([O:30][CH3:29])=[O:32])[cH:41][c:38]2[O:39][CH3:40])[n:3][c:4]([C:25]([F:26])([F:27])[F:28])[n:5][c:6](-[c:15]2[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:19][cH:20]2)[c:7]1-[c:8]1[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]1