HRID288187

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID170668

2,4-Diamino-5-cyano-6-bromopyridine

C6H5BrN4

PRODUCTS

生成物

HCID66920608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc86e244c2664b4f8914238b0e9e428d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[NH2:1][c:2]1[cH:3][c:4]([NH2:11])[n:5][c:6]([Br:10])[c:7]1[C:8]#[N:9].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:61].[OH:12][B:13]([OH:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[c:21]1([CH3:22])[cH:23][cH:24][cH:25][cH:26][c:27]1[P:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][c:34]1[CH3:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][c:41]1[CH3:42]>>[NH2:1][c:2]1[cH:3][c:4]([NH2:11])[n:5][c:6](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:7]1[C:8]#[N:9]