HRID180820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID70770

Ethyl 4-piperidinecarboxylate

C8H15NO2

HCID81531

Diisopropylethylamine

C8H19N

HCID68682653

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(Cc2ccc(-c3nnn(CC)n3)cc2)CC1

HCID21260416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-068b56b09d574c04a9e50830761c4353
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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