HRID310336

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7912

Diisopropylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID105144

Palladium(2+)

Pd+2

结构：CCOC(=O)C(Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)OC(C)(C)C

HCID21988876

未命名化合物

HCID23080950

未命名化合物

PRODUCTS

生成物

结构：CCOCc1cc(OC)c(-c2ccc(CC(NC(=O)OC(C)(C)C)C(=O)OCC)cc2)c(OC)c1

HCID178467626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-613aae52351048fc88cc96bc5025164c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[CH2:30]([CH3:31])[O:32][CH2:33][c:34]1[cH:35][c:36]([O:46][CH3:47])[c:37]([O:42][B:43]([OH:44])[OH:45])[c:38]([O:40][CH3:41])[cH:39]1.[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH2:14][c:15]1[cH:16][cH:17][c:18]([O:21][S:22]([C:23]([F:24])([F:25])[F:26])(=[O:27])=[O:28])[cH:19][cH:20]1)[CH3:29].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[CH3:91][N:92]1[CH2:93][CH2:94][CH2:95][C:96]1=[O:97].[CH:67]([NH:68][CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[OH2:83].[Pd+2:78].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH2:14][c:15]1[cH:16][cH:17][c:18](-[c:37]2[c:36]([O:46][CH3:47])[cH:35][c:34]([CH2:33][O:32][CH2:30][CH3:31])[cH:39][c:38]2[O:40][CH3:41])[cH:19][cH:20]1)[CH3:29]