HRID109761

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID30165

Iodide ion

I-

HCID110862

2,6-Dimethyl morpholine

C6H13NO

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(OCCOS(C)(=O)=O)CC2)c2ncnn12

HCID86644027

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(OCCN3CC(C)OC(C)C3)CC2)c2ncnn12

HCID77166442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9ac1cc1fe464ec5ae0d3ab28d279d8c
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

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