HRID311617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID14551849

3,3-Dimethylmorpholine

C6H13NO

结构：Cc1ccc(CC2CN(CC=CCCl)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

HCID178424587

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

2 次

结构：Cc1ccc(CC2CN(CC=CCN3CCOCC3(C)C)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

HCID178424588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc720a6a95fe499b9f264018b7737880
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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