HRID2330295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

HCID22061379

1-(Azetidin-3-yl)piperidin-4-ol

C8H16N2O

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(=O)O)n(C)c2n1

HCID59605325

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(=O)N3CC(N4CCC(O)CC4)C3)n(C)c2n1

HCID59605462

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f0a458d06ea48baab2149910da7ccd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[c:11]3[n:12][c:13]([C:18](=[O:19])[OH:20])[n:14]([CH3:17])[c:15]3[n:16]1)[cH:27][cH:28][cH:29][cH:30]2.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:32][c:33]1[cH:34][cH:35][cH:36][cH:37][n+:38]1[CH3:39].[I-:31].[NH:49]1[CH2:50][CH:51]([N:53]2[CH2:54][CH2:55][CH:56]([OH:59])[CH2:57][CH2:58]2)[CH2:52]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[c:11]3[n:12][c:13]([C:18](=[O:19])[N:49]4[CH2:50][CH:51]([N:53]5[CH2:54][CH2:55][CH:56]([OH:59])[CH2:57][CH2:58]5)[CH2:52]4)[n:14]([CH3:17])[c:15]3[n:16]1)[cH:27][cH:28][cH:29][cH:30]2