HRID1235388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID15538284

6-Amino-2-iodo-3,4-dimethoxybenzonitrile

C9H9IN2O2

HCID178514833

未命名化合物

PRODUCTS

生成物

HCID9943035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2bc691b239d4cb48b83005e004a1810
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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