HRID673627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID14171647

未命名化合物

HCID58317587

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(C#N)cc(NC2COCC2N)nc1Nc1cccc(C)c1

HCID67239203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed46dcc1acb34849b48cddf0fe6ee66c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:43][OH:44].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl:1][c:2]1[n:3][c:4]([NH:14][c:15]2[cH:16][c:17]([CH3:21])[cH:18][cH:19][cH:20]2)[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([C:12]#[N:13])[cH:11]1.[O:31]1[CH2:32][CH:33]([NH2:37])[CH:34]([NH2:36])[CH2:35]1.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[c:2]1([NH:37][CH:33]2[CH2:32][O:31][CH2:35][CH:34]2[NH2:36])[n:3][c:4]([NH:14][c:15]2[cH:16][c:17]([CH3:21])[cH:18][cH:19][cH:20]2)[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([C:12]#[N:13])[cH:11]1