HRID1152991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1318

1,10-Phenanthroline

C12H8N2

HCID19660

Carbonate

CO3-2

HCID83717

Copper iodide (CuI2)

CuI2

HCID84834

2-(Methylsulfonyl)ethanol

C3H8O3S

HCID104967

Cesium(1+)

Cs+

2 次

结构：Cc1c(Nc2ccc(I)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1

HCID59856851

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Nc2ccc(OCCS(C)(=O)=O)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1

HCID59856656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97c4480244d24bc9b99e76935cadd5e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:30](=[O:31])([O-:32])[O-:33].[CH3:50][S:51](=[O:52])(=[O:53])[CH2:54][CH2:55][OH:56].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([NH:21][c:22]3[c:23]([F:29])[cH:24][c:25]([I:28])[cH:26][cH:27]3)[c:19]2[CH3:20])[CH2:11][CH2:12]1.[Cs+:34].[Cs+:35].[Cu:57]([I:58])[I:59].[n:36]1[c:37]2[c:38]([cH:39][cH:40][c:41]3[c:42]2[n:43][cH:44][cH:45][cH:46]3)[cH:47][cH:48][cH:49]1>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([NH:21][c:22]3[c:23]([F:29])[cH:24][c:25]([O:56][CH2:55][CH2:54][S:51]([CH3:50])(=[O:52])=[O:53])[cH:26][cH:27]3)[c:19]2[CH3:20])[CH2:11][CH2:12]1