HRID106018

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

HCID9257

1H-1,2,4-Triazole

C2H3N3

HCID166653

Hydride

H-

结构：COc1ccc(-c2c(C(C)=O)c(CBr)nc3cc(OC)c(OC)cc23)cc1OC

HCID19039905

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2c(C(C)=O)c(Cn3cncn3)nc3cc(OC)c(OC)cc23)cc1OC

HCID19039896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0dd25914cb8746ec9510ca49920493ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:8]([CH3:9])(=[O:10])[c:11]1[c:12]([CH2:35][Br:36])[n:13][c:14]2[cH:15][c:16]([O:33][CH3:34])[c:17]([O:31][CH3:32])[cH:18][c:19]2[c:20]1-[c:21]1[cH:22][c:23]([O:29][CH3:30])[c:24]([O:27][CH3:28])[cH:25][cH:26]1.[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[H-:1].[Na+:2].[OH2:37].[nH:3]1[n:4][cH:5][n:6][cH:7]1>>[n:3]1([CH2:35][c:12]2[c:11]([C:8]([CH3:9])=[O:10])[c:20](-[c:21]3[cH:22][c:23]([O:29][CH3:30])[c:24]([O:27][CH3:28])[cH:25][cH:26]3)[c:19]3[c:14]([n:13]2)[cH:15][c:16]([O:33][CH3:34])[c:17]([O:31][CH3:32])[cH:18]3)[n:4][cH:5][n:6][cH:7]1