HRID2344627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID784

Hydrogen peroxide

H2O2

HCID3283

Diethyl Ether

C4H10O

HCID21531

Triisopropyl orthoborate

C9H21BO3

HCID178418306

未命名化合物

反应SMILES：Cc1nc2c(cc1Br)CC1CN(C(=O)OC(C)(C)C)CC(C)N21

HCID178432052

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1nc2c(cc1O)CC1CN(C(=O)OC(C)(C)C)CC(C)N21

HCID178432064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-13b8d448d91b49779f262b1272f3fbe0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[B:24]([O:25][CH:34]([CH3:35])[CH3:36])([O:26][CH:27]([CH3:28])[CH3:29])[O:30][CH:31]([CH3:32])[CH3:33].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][c:14]([Br:23])[c:15]([CH3:22])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1.[C:37]([Li:38])([CH3:39])([CH3:40])[CH3:41].[CH3:44][CH2:45][O:46][CH2:47][CH3:48].[CH3:49][C:50](=[O:51])[OH:52].[OH:42][OH:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][c:14]([OH:25])[c:15]([CH3:22])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1