HRID2348254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID81531

Diisopropylethylamine

C8H19N

HCID98210

3-Pyrrolidinol

C4H9NO

HCID14578458

3-Methylpyrrolidin-3-ol

C5H11NO

结构：CC1CCCC(O)(CNC(=O)c2c(Cl)ccc3nc(Cl)ccc23)C1

HCID86623365

未命名化合物

PRODUCTS

生成物

结构：CC1CCCC(O)(CNC(=O)c2c(Cl)ccc3nc(N4CCC(C)(O)C4)ccc23)C1

HCID178425732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7f3cb229518451cb20a5e2709207578
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

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