HRID1562144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

HCID8471

Triethylamine

C6H15N

结构：CCOC(=O)c1nc(I)c2nc(-c3ccccc3)sc2c1OCc1ccccc1

HCID86617360

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nc(N2CCCCC2)c2nc(-c3ccccc3)sc2c1OCc1ccccc1

HCID68428124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b098594f9cbc4034b27a06957fe86b0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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