HRID1556672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID58577371

未命名化合物

结构：CCn1c(=O)n(-c2ccc(O)cc2)c2ncc(C#N)cc21

HCID58577516

未命名化合物

PRODUCTS

生成物

结构：CCn1c(=O)n(-c2ccc(Oc3nc4cccnc4n3C)cc2)c2ncc(C#N)cc21

HCID58577502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f75d33d0f4c4ff5865531ad71d6f334
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

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