HRID2157103

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

HCID2773612

tert-butyl N-(4-iodophenyl)carbamate

C11H14INO2

HCID18453522

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(C=CCCn2ccnn2)cc1

HCID69490216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e547e611d804d6b865312d52abb44d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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