HRID173123

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6328

Methyl iodide

CH3I

HCID31275

1,4-Dioxane

C4H8O2

结构：CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(-c2ccc(F)cc2)c2cccnc2c(=O)n1C

HCID9871891

未命名化合物

PRODUCTS

生成物

HCID30165

Iodide ion

I-

结构：CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(-c2ccc(F)cc2)c2ccc[n+](C)c2c(=O)n1C

HCID23364051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5515546697b541f5ac9ea9119c2cb3d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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