HRID125398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID84953

Propane, 1-iodo-2,2-dimethyl-

C5H11I

HCID104967

Cesium(1+)

Cs+

2 次

结构：NC1=NC2(CO1)c1cc(O)ccc1Oc1ncc(Br)cc12

HCID59272389

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)COc1ccc2c(c1)C1(COC(N)=N1)c1cc(Br)cnc1O2

HCID67240592

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7114dfd81ae4da3b4fe88289d73c9e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:27](=[O:28])([O-:29])[O-:30].[CH2:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[I:38].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[Cs+:31].[Cs+:32].[NH2:1][C:2]1=[N:21][C:5]2([CH2:4][O:3]1)[c:6]1[cH:7][c:8]([OH:20])[cH:9][cH:10][c:11]1[O:12][c:13]1[n:14][cH:15][c:16]([Br:19])[cH:17][c:18]12.[O:22]=[CH:23][N:24]([CH3:25])[CH3:26].[OH2:45]>>[NH2:1][C:2]1=[N:21][C:5]2([CH2:4][O:3]1)[c:6]1[cH:7][c:8]([O:20][CH2:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:9][cH:10][c:11]1[O:12][c:13]1[n:14][cH:15][c:16]([Br:19])[cH:17][c:18]12