HRID92527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID25134

Boron tribromide

BBr3

结构：CCCc1nc(C)n(-c2ccc(OC)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460630

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C)n(-c2ccc(O)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be98cd7de73a4846a715549a39fa16dd
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

[B:35]([Br:36])([Br:37])[Br:38].[CH2:46]([Cl:47])[Cl:48].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[n:9]2[c:10]([CH3:34])[n:11][c:12]([CH2:31][CH2:32][CH3:33])[c:13]([CH2:16][c:17]3[cH:18][cH:19][c:20](-[c:23]4[c:24]([C:29]#[N:30])[cH:25][cH:26][cH:27][cH:28]4)[cH:21][cH:22]3)[c:14]2=[O:15])[cH:7][cH:8]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[OH2:45]>>[OH:2][c:3]1[cH:4][cH:5][c:6](-[n:9]2[c:10]([CH3:34])[n:11][c:12]([CH2:31][CH2:32][CH3:33])[c:13]([CH2:16][c:17]3[cH:18][cH:19][c:20](-[c:23]4[c:24]([C:29]#[N:30])[cH:25][cH:26][cH:27][cH:28]4)[cH:21][cH:22]3)[c:14]2=[O:15])[cH:7][cH:8]1