HRID1537802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

反应SMILES：CC(C)=CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2[nH]c(=O)n(COC(=O)C(C)(C)C)c(=O)c21

HCID23536943

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)Cn1c(=O)n(COC(=O)C(C)(C)C)c(=O)c2c1nc(N1CCN(C(=O)OC(C)(C)C)CC1)n2CC=C(C)C

HCID23536961

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7075bf1d52244821b19df5eb87583c1f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[Br:44][CH2:45][C:46](=[O:47])[O:48][CH2:49][CH3:50].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]3[nH:17][c:18](=[O:37])[n:19]([CH2:29][O:30][C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[c:20](=[O:28])[c:21]3[n:22]2[CH2:23][CH:24]=[C:25]([CH3:26])[CH3:27])[CH2:12][CH2:13]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[K+:42].[K+:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]3[n:17]([CH2:45][C:46](=[O:47])[O:48][CH2:49][CH3:50])[c:18](=[O:37])[n:19]([CH2:29][O:30][C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[c:20](=[O:28])[c:21]3[n:22]2[CH2:23][CH:24]=[C:25]([CH3:26])[CH3:27])[CH2:12][CH2:13]1