HRID1233145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

结构：COc1cc2c(Nc3ccc4cn[nH]c4c3)c(C#N)cnc2cc1OCCCl

HCID10294003

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Nc3ccc4cn[nH]c4c3)c(C#N)cnc2cc1OCCN(C)C

HCID10222754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4b85020b3a442bca214d989d57d307d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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