HRID2312475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID6212

Chloroform

CHCl3

HCID12684342

2-Chloro-N,N-dimethylquinazolin-4-amine

C10H10ClN3

HCID22253963

Benzyl [4-(aminomethyl)cyclohexyl]carbamate

C15H22N2O2

PRODUCTS

生成物

结构：CN(C)c1nc(NCC2CCC(NC(=O)OCc3ccccc3)CC2)nc2ccccc12

HCID68846868

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ef31efee7bf4aed816981f6c1544f4f
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

[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[O:23][C:24]([NH:25][CH:26]1[CH2:27][CH2:28][CH:29]([CH2:32][NH2:33])[CH2:30][CH2:31]1)=[O:34].[CH3:40][CH:41]([OH:42])[CH3:43].[CH3:48][OH:49].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([N:12]([CH3:13])[CH3:14])[n:11]1.[Cl:44][CH:45]([Cl:46])[Cl:47].[ClH:15].[Na+:39].[O-:35][C:36]([OH:37])=[O:38]>>[c:2]1([NH:33][CH2:32][CH:29]2[CH2:28][CH2:27][CH:26]([NH:25][C:24]([O:23][CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)=[O:34])[CH2:31][CH2:30]2)[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([N:12]([CH3:13])[CH3:14])[n:11]1