HRID1238769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID59548404

未命名化合物

HCID68512793

未命名化合物

PRODUCTS

产物

HCID178491057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2d062b33ee154e78b115a60cddce4adf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH3:26])[N:11]([CH:14]([CH3:15])[c:16]2[cH:17][c:18]([B:23]([OH:24])[OH:25])[c:19]([F:22])[n:20][cH:21]2)[CH2:12][CH2:13]1.[Cl:27][c:28]1[cH:29][c:30]([N:35]([CH2:36][c:37]2[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]2)[CH2:45][c:46]2[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]2)[n:31][c:32]([CH3:34])[n:33]1.[K+:58].[O-:54][C:55]([CH3:56])=[O:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH3:26])[N:11]([CH:14]([CH3:15])[c:16]2[cH:17][c:18](-[c:28]3[cH:29][c:30]([N:35]([CH2:36][c:37]4[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]4)[CH2:45][c:46]4[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]4)[n:31][c:32]([CH3:34])[n:33]3)[c:19]([F:22])[n:20][cH:21]2)[CH2:12][CH2:13]1