HRID1207071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID2756046

tert-Butyl {[4-(aminomethyl)cyclohexyl]methyl}carbamate

C13H26N2O2

HCID12684342

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

C10H10ClN3

PRODUCTS

生成物

结构：CN(C)c1nc(NCC2CCC(CNC(=O)OC(C)(C)C)CC2)nc2ccccc12

HCID68846239

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80ccf1ffd7ec4a6c82f6f857824ffd83
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

[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20]([NH:21][CH2:22][CH:23]1[CH2:24][CH2:25][CH:26]([CH2:29][NH2:30])[CH2:27][CH2:28]1)=[O:31].[CH3:37][CH:38]([OH:39])[CH3:40].[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.[Na+:36].[O-:32][C:33]([OH:34])=[O:35]>>[c:2]1([NH:30][CH2:29][CH:26]2[CH2:25][CH2:24][CH:23]([CH2:22][NH:21][C:20]([O:19][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:31])[CH2:28][CH2:27]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