HRID2319045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID58577371

未命名化合物

结构：Cc1cnc2c(c1)n(C(C)C)c(=O)n2-c1ccc(O)cc1

HCID58577676

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc2c(c1)n(C(C)C)c(=O)n2-c1ccc(Oc2nc3cccnc3n2C)cc1

HCID54771095

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f24ce08981104a3abce8877ae5d6007b
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][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.[H-:37].[Na+:36].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:38].[OH:15][c:16]1[cH:17][cH:18][c:19](-[n:22]2[c:23](=[O:35])[n:24]([CH:32]([CH3:33])[CH3:34])[c:25]3[c:26]2[n:27][cH:28][c:29]([CH3:31])[cH:30]3)[cH:20][cH:21]1>>[CH3:1][n:2]1[c:3]([O:15][c:16]2[cH:17][cH:18][c:19](-[n:22]3[c:23](=[O:35])[n:24]([CH:32]([CH3:33])[CH3:34])[c:25]4[c:26]3[n:27][cH:28][c:29]([CH3:31])[cH:30]4)[cH:20][cH:21]2)[n:4][c:5]2[c:6]1[n:7][cH:8][cH:9][cH:10]2