HRID1230726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID2756810

tert-Butyl 3-methylpiperazine-1-carboxylate

C10H20N2O2

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(Cl)cnc3F)n2)cc1

HCID66600504

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCN(C(=O)OC(C)(C)C)CC4C)cnc3F)n2)cc1

HCID66611414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8695681eb95540449b0ffd02434c2c04
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

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