HRID2139025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID25134

Boron tribromide

BBr3

结构：COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(=Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1

HCID178492377

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(=Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1

HCID178457879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2108441a6f624824be1d1e71d0883d02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[B:41]([Br:42])([Br:43])[Br:44].[CH3:45][OH:46].[Cl:47][CH2:48][Cl:49].[O:1]=[C:2]1[N:3]([CH2:26][C:27](=[O:28])[N:29]([c:30]2[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]2)[CH:38]([CH3:39])[CH3:40])[CH:4]=[CH:5][N:6]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[C:7](=[O:19])[C:8]1=[CH:9][c:10]1[n:11][nH:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]12>>[O:1]=[C:2]1[N:3]([CH2:26][C:27](=[O:28])[N:29]([c:30]2[cH:31][cH:32][c:33]([OH:36])[cH:34][cH:35]2)[CH:38]([CH3:39])[CH3:40])[CH:4]=[CH:5][N:6]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[C:7](=[O:19])[C:8]1=[CH:9][c:10]1[n:11][nH:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]12