HRID1539947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID256687

Methyl 4-(bromomethyl)benzoate

C9H9BrO2

结构：COc1ccc(C=Cc2nc3c(OC)c(C)c(C)c(OC)c3[nH]2)cc1OC

HCID54025785

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Cn2c(C=Cc3ccc(OC)c(OC)c3)nc3c(OC)c(C)c(C)c(OC)c32)cc1

HCID70148169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55e1d2c47aaf471fac98726da50de7fe
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

[CH3:30][O:31][C:32]([c:33]1[cH:34][cH:35][c:36]([CH2:39][Br:40])[cH:37][cH:38]1)=[O:41].[CH3:3][O:4][c:5]1[cH:6][c:7]([CH:13]=[CH:14][c:15]2[n:16][c:17]3[c:18]([nH:19]2)[c:20]([O:28][CH3:29])[c:21]([CH3:27])[c:22]([CH3:26])[c:23]3[O:24][CH3:25])[cH:8][cH:9][c:10]1[O:11][CH3:12].[H-:1].[Na+:2].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[CH3:3][O:4][c:5]1[cH:6][c:7]([CH:13]=[CH:14][c:15]2[n:16][c:17]3[c:18]([n:19]2[CH2:39][c:36]2[cH:35][cH:34][c:33]([C:32]([O:31][CH3:30])=[O:41])[cH:38][cH:37]2)[c:20]([O:28][CH3:29])[c:21]([CH3:27])[c:22]([CH3:26])[c:23]3[O:24][CH3:25])[cH:8][cH:9][c:10]1[O:11][CH3:12]