HRID684057

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6340

Ethane, iodo-

C2H5I

HCID6342

Acetonitrile

C2H3N

结构：[O-][N+]1(Cc2ccc(OCC3CC3)cc2)CCC(C(O)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1

HCID53988844

未命名化合物

PRODUCTS

生成物

HCID30165

Iodide ion

I-

结构：CCO[N+]1(Cc2ccc(OCC3CC3)cc2)CCC(C(O)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1

HCID19063888

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd21a5537ca74f71b26ca568c2edfb3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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