HRID108845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID4610

1,2-Cyclohexanediamine

C6H14N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID12025

2-Pyrrolidinone

C4H7NO

HCID31275

1,4-Dioxane

C4H8O2

HCID59403519

tert-Butyl 9-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

C14H18BrNO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCOc2c(cccc2N2CCCC2=O)C1

HCID68580680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6adc568f339474fb184c081600bb784
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:12]1[O:11][CH2:10][CH2:9][N:8]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:7]2.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH:34]1([NH2:35])[CH2:36][CH2:37][CH2:38][CH2:39][CH:40]1[NH2:41].[K+:31].[K+:32].[K+:33].[NH:20]1[C:21](=[O:25])[CH2:22][CH2:23][CH2:24]1.[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH2:48].[P:26]([O-:27])([O-:28])([O-:29])=[O:30]>>[c:2]1([N:20]2[C:21](=[O:25])[CH2:22][CH2:23][CH2:24]2)[cH:3][cH:4][cH:5][c:6]2[c:12]1[O:11][CH2:10][CH2:9][N:8]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:7]2