HRID2127787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID3280088

未命名化合物

反应SMILES：CC(C)(C(=O)Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID11267141

未命名化合物

HCID23502811

未命名化合物

PRODUCTS

产物

反应SMILES：CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)cc1-c1ccccc1Cl

HCID23502837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-915c57d6cf8140f18309bb159e39f1b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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