HRID1574312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6555

1-Bromo-2-methylpropane

C4H9Br

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID104967

Cesium(1+)

Cs+

2 次

结构：NC1=NC2(CO1)c1cc(O)ccc1Oc1ccc(-c3cncnc3)cc12

HCID58466141

未命名化合物

PRODUCTS

生成物

结构：CC(C)COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2

HCID45255916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9693020d44cb4f7fa225479f93a84d2f
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

[C:27](=[O:28])([O-:29])[O-:30].[CH2:33]([CH:34]([CH3:35])[CH3:36])[Br:37].[CH2:39]([N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[Cs+:31].[Cs+:32].[I-:38].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12](-[c:21]3[cH:22][n:23][cH:24][n:25][cH:26]3)[cH:13][c:14]1[C:15]21[N:16]=[C:17]([NH2:20])[O:18][CH2:19]1>>[O:1]([c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12](-[c:21]3[cH:22][n:23][cH:24][n:25][cH:26]3)[cH:13][c:14]1[C:15]21[N:16]=[C:17]([NH2:20])[O:18][CH2:19]1)[CH2:33][CH:34]([CH3:35])[CH3:36]