HRID211937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID70544

1-(2,4-Xylyl)piperazine

C12H18N2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(Br)c1)N2

HCID67442831

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(N3CCN(c4ccc(C)cc4C)CC3)c1)N2

HCID67441211

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-465c81155253442abeb73cc62d4efdde
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:25](=[O:26])([O-:27])[O-:28].[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([Br:22])[cH:19][cH:20][cH:21]1)[C:10]([CH3:23])([CH3:24])[CH2:9]2.[CH3:32][c:33]1[c:34]([N:40]2[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2)[cH:35][cH:36][c:37]([CH3:39])[cH:38]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[ClH:31].[Cs+:29].[Cs+:30].[Pd+2:57]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([N:43]3[CH2:42][CH2:41][N:40]([c:34]4[c:33]([CH3:32])[cH:38][c:37]([CH3:39])[cH:36][cH:35]4)[CH2:45][CH2:44]3)[cH:19][cH:20][cH:21]1)[C:10]([CH3:23])([CH3:24])[CH2:9]2