HRID203882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID79304

Methanone, diphenyl-, hydrazone

C13H12N2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID53414198

1-Oxo-1,2,3,4-tetrahydroisoquinolin-6-yl trifluoromethanesulfonate

C10H8F3NO4S

PRODUCTS

生成物

结构：O=C1NCCc2cc(NN=C(c3ccccc3)c3ccccc3)ccc21

HCID86611685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5393291674f94803a47c8cc56e1e40b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)=[N:33][NH2:34].[C:35](=[O:36])([O-:37])[O-:38].[Cs+:39].[Cs+:40].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]2[c:14]([cH:15][cH:16]1)[C:13](=[O:17])[NH:12][CH2:11][CH2:10]2)(=[O:18])=[O:19].[O-:42][C:43]([CH3:44])=[O:45].[O-:46][C:47]([CH3:48])=[O:49].[OH2:50].[Pd+2:41]>>[c:7]1([NH:34][N:33]=[C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:8][c:9]2[c:14]([cH:15][cH:16]1)[C:13](=[O:17])[NH:12][CH2:11][CH2:10]2