HRID2320458

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

HCID10820612

Hexahydropyrrolo[1,2-a]pyrazin-6(2H)-one

C7H12N2O

PRODUCTS

生成物

结构：Cc1ccccc1-c1cc(N2CCN3C(=O)CCC3C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID59215864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-666fcb0deaf048ea85f88794e4c48c22
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:46](=[O:47])([O-:48])[O-:49].[CH2:36]1[CH:37]2[N:38]([CH2:39][CH2:40][NH:41]1)[C:42](=[O:45])[CH2:43][CH2:44]2.[CH3:54][S:55]([CH3:56])=[O:57].[Cl-:52].[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+:50].[K+:51].[NH4+: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]([N:41]3[CH2:36][CH:37]4[N:38]([CH2:39][CH2:40]3)[C:42](=[O:45])[CH2:43][CH2:44]4)[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]