HRID314285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID75452

4-Methoxybenzylamine

C8H11NO

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：Cc1cc(-c2cccc(C(F)(F)F)c2)c(Cl)nc1C(=O)N1CCC(N2CCCC2)CC1

HCID44547211

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2nc(C(=O)N3CCC(N4CCCC4)CC3)c(C)cc2-c2cccc(C(F)(F)F)c2)cc1

HCID58016724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3159f47b398e4d0d91f50639617ebc66
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

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