HRID159047

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID278694

Benzyl (2-bromoethyl)carbamate

C10H12BrNO2

HCID135869942

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCOc1ccc2c(C3CC3)nn(Cc3ccccc3)c2c1)OCc1ccccc1

HCID59370774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-014c8dcc76644e1d9f29da75b2efc124
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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