HRID306690

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

HCID22708717

Hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one

C7H12N2O

结构：Cc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID23502784

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(F)ccc1-c1cc(N2CC(=O)N3CCCC3C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID59215756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf638d84e60448e0826627ea6ec58c53
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:47](=[O:48])([O-:49])[O-:50].[CH2:37]1[CH:38]2[N:39]([C:40](=[O:43])[CH2:41][NH:42]1)[CH2:44][CH2:45][CH2:46]2.[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:32])[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36].[K+:51].[K+:52].[NH4+:54]>>[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:42]3[CH2:37][CH:38]4[N:39]([C:40](=[O:43])[CH2:41]3)[CH2:44][CH2:45][CH2:46]4)[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36]