HRID2312176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID7046

1,2,3,4-Tetrahydroisoquinoline

C9H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

HCID10640708

1-Chloro-6,7-dimethoxyisoquinoline

C11H10ClNO2

PRODUCTS

生成物

HCID11645449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36dcc9090eaf499dbceb158fedba3182
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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