HRID166078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8868

Ethyl acetoacetate

C6H10O3

HCID105144

Palladium(2+)

Pd+2

HCID710729

1-(4-BROMOPHENYLSULFONYL)-4-METHYLPIPERAZINE

C11H15BrN2O2S

结构：CC(C)(C)P(C(C)(C)C)C1(C)CC=CC=C1c1ccccc1

HCID67486289

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1

HCID44473999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ede7114009994ab7a3ffdfc094ebaae5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][N:14]([CH3:17])[CH2:15][CH2:16]2)[cH:6][cH:7]1.[C:18]([CH2:19][C:20]([CH3:21])=[O:22])(=[O:23])[O:24][CH2:25][CH3:26].[C:27]([P:28]([C:29]([CH3:30])([CH3:31])[CH3:32])[C:33]1([CH3:34])[CH2:35][CH:36]=[CH:37][CH:38]=[C:39]1[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)([CH3:46])([CH3:47])[CH3:48].[C:57]([O-:58])(=[O:59])[CH3:60].[C:62]([O-:63])(=[O:64])[CH3:65].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[K+:54].[K+:55].[K+:56].[OH2:66].[P:49]([O-:50])([O-:51])([O-:52])=[O:53].[Pd+2:61]>>[c:2]1([CH2:19][C:18](=[O:23])[O:24][CH2:25][CH3:26])[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][N:14]([CH3:17])[CH2:15][CH2:16]2)[cH:6][cH:7]1