HRID1546412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID83717

Copper iodide (CuI2)

CuI2

HCID104967

Cesium(1+)

Cs+

2 次

HCID5250464

N,N-dimethylmethanediamine

C3H10N2

HCID13607513

Hexahydropyrrolo[1,2-a]pyrazin-3(4H)-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(N2CC3CCCN3CC2=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID73230311

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb9256880b8e44deb0678b5a2cda2031
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:52](=[O:53])([O-:54])[O-:55].[CH2:37]1[CH:38]2[N:39]([CH2:40][C:41](=[O:43])[NH:42]1)[CH2:44][CH2:45][CH2:46]2.[CH3:47][N:48]([CH3:49])[CH2:50][NH2:51].[Cs+:56].[Cs+:57].[Cu:64]([I:65])[I:66].[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].[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1>>[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]([CH2:40][C:41]3=[O:43])[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]