HRID1552215

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID25134

Boron tribromide

BBr3

结构：COc1cc(C)cc(-c2nn(CC#N)cc2-c2ccnc(N3CCC(O)C3)n2)c1

HCID66868546

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(O)cc(-c2nn(CC#N)cc2-c2ccnc(N3CCC(O)C3)n2)c1

HCID66868615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b752b72b8e84a5ca7a9c81d13d04c47
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

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