HRID2149018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID6329

Methylamine

CH5N

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

反应SMILES：CN(CCO)C(=O)c1ccc(Cl)c(N(C)C(=O)c2cc3c(s2)-c2ccc(Br)cc2OCC3)c1

HCID58204024

未命名化合物

PRODUCTS

产物

反应SMILES：CNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3cc(C(=O)N(C)CCO)ccc3Cl)sc1-2

HCID58204261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cafb81430c164797926a90f654780be9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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