HRID99062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID10924

Butane, 1-iodo-3-methyl-

C5H11I

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCOC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCCN2)c1

HCID57666078

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCCN2CCC(C)C)c1

HCID57666084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f827649403ac4ca48d8583dbe4522b2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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