HRID1141508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID69663

4-Methyloxazole

C4H5NO

HCID104967

Cesium(1+)

Cs+

2 次

HCID57752681

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3ocnc3C)c(C)nc12

HCID57932920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f44e4e70dd043cda4b04c12e1e33e5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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