HRID168594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID541740

3-Iodopropanamide

C3H6INO

结构：CC(Oc1ccc(-c2nc(-c3cccc4c3CCN4)no2)cc1C(F)(F)F)C(F)(F)F

HCID59214362

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1ccc(-c2nc(-c3cccc4c3CCN4CCC(N)=O)no2)cc1C(F)(F)F)C(F)(F)F

HCID59214258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f99789888d54a57a4205b9fb379b1c8
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

[CH3:49][C:50]#[N:51].[F:1][C:2]([c:3]1[cH:4][c:5](-[c:16]2[n:17][c:18](-[c:21]3[c:22]4[c:26]([cH:27][cH:28][cH:29]3)[NH:25][CH2:24][CH2:23]4)[n:19][o:20]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([C:11]([F:12])([F:13])[F:14])[CH3:15])([F:30])[F:31].[I:38][CH2:39][CH2:40][C:41](=[O:42])[NH2:43].[K+:32].[K+:33].[Na+:48].[O-:34][C:35]([O-:36])=[O:37].[O-:44][C:45]([OH:46])=[O:47]>>[F:1][C:2]([c:3]1[cH:4][c:5](-[c:16]2[n:17][c:18](-[c:21]3[c:22]4[c:26]([cH:27][cH:28][cH:29]3)[N:25]([CH2:39][CH2:40][C:41](=[O:42])[NH2:43])[CH2:24][CH2:23]4)[n:19][o:20]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([C:11]([F:12])([F:13])[F:14])[CH3:15])([F:30])[F:31]