HRID1209033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID101235

Propanamide, 2-bromo-2-methyl-

C4H8BrNO

结构：Nc1ncnc2[nH]cc(-c3ccc(Oc4ccccc4)cc3)c12

HCID12042234

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C(N)=O)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

HCID22736234

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98148714870c453aaaa5f434bb05a60d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:26][C:27]([C:28](=[O:29])[NH2:30])([CH3:31])[CH3:32].[CH3:34][N:35]1[CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[C:41]1=[O:42].[ClH:33].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[nH:8][cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([O:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:15][cH:16]1.[Na+:25].[OH-:24].[OH2:43]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([C:27]([C:28](=[O:29])[NH2:30])([CH3:31])[CH3:32])[cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([O:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:15][cH:16]1