HRID211303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2734385

3-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

HCID17982656

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(NC1CN2CCC1CC2)c1cc2cccc(-c3cccc(OC(F)(F)F)c3)c2o1

HCID17982689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ea80bf8db0d4913a21f0a0737eedaa2
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

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