HRID210647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID849421

R-56109

C12H13FN2O

HCID18467243

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(C)=O)c(O)cc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1

HCID22457092

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78380e760e6f45fb83830c411713f64b
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

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