HRID2131224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

HCID2734324

5-Chlorothiophene-2-boronic acid

C4H4BClO2S

HCID12712832

2,4-Dichlorothieno[3,2-d]pyrimidine

C6H2Cl2N2S

PRODUCTS

生成物

HCID86592314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6872e213859047b9b39ac821348d36f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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