HRID161892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

结构：Cc1ccccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID10229532

未命名化合物

HCID59215775

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1-c1cc(N2CCN3C(CCS3(=O)=O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID16063647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fec4b64885340e39c6d8f1471d70313
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

[C:47](=[O:48])([O-:49])[O-:50].[CH3:55][S:56]([CH3:57])=[O:58].[Cl-:53].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([Cl:31])[cH:22][c:23]2-[c:24]2[c:25]([CH3:30])[cH:26][cH:27][cH:28][cH:29]2)([CH3:32])[CH3:33])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:34])[F:35].[K+:51].[K+:52].[NH4+:54].[S:36]1(=[O:45])(=[O:46])[CH2:37][CH2:38][CH:39]2[N:40]1[CH2:41][CH2:42][NH:43][CH2:44]2>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([N:43]3[CH2:42][CH2:41][N:40]4[S:36](=[O:45])(=[O:46])[CH2:37][CH2:38][CH:39]4[CH2:44]3)[cH:22][c:23]2-[c:24]2[c:25]([CH3:30])[cH:26][cH:27][cH:28][cH:29]2)([CH3:32])[CH3:33])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:34])[F:35]