HRID1148438

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(Cl)cc21

HCID58577592

2H-Imidazo[4,5-b]pyridin-2-one, 6-chloro-1-ethyl-1,3-dihydro-3-(4-hydroxyphenyl)-

C14H12ClN3O2

PRODUCTS

生成物

结构：CCn1c(=O)n(-c2ccc(Oc3nc4cccnc4n3C)cc2)c2ncc(Cl)cc21

HCID58577765

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d7d1ea42eef4ced9e18e5b25c1e7dce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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