HRID186552

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

HCID91965

ortho-Methylphenylpiperazine

C11H16N2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：COC(=O)c1cc(Cl)cc2c1NC(c1cccc(Br)c1)C(C)(C)C2

HCID67442058

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(Cl)cc2c1NC(c1cccc(N3CCN(c4ccccc4C)CC3)c1)C(C)(C)C2

HCID67442260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8800757ac8b445aeb20d07a5e4732e8c
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:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:24])[cH:8][c:9]2[c:14]1[NH:13][CH:12]([c:15]1[cH:16][c:17]([Br:21])[cH:18][cH:19][cH:20]1)[C:11]([CH3:22])([CH3:23])[CH2:10]2.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[ClH:31].[Cs+:29].[Cs+:30].[Pd+2:56].[c:32]1([CH3:44])[c:33]([N:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[cH:34][cH:35][cH:36][cH:37]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:24])[cH:8][c:9]2[c:14]1[NH:13][CH:12]([c:15]1[cH:16][c:17]([N:41]3[CH2:40][CH2:39][N:38]([c:33]4[c:32]([CH3:44])[cH:37][cH:36][cH:35][cH:34]4)[CH2:43][CH2:42]3)[cH:18][cH:19][cH:20]1)[C:11]([CH3:22])([CH3:23])[CH2:10]2