HRID180116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：C=CCC(CC(=O)OC(C)(C)C)C(=O)NC(C(=O)NC(C)c1ccccc1)C(C)(C)C

HCID18319195

未命名化合物

HCID22736316

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C(NC(=O)C(CC=Cc1ccc(Oc2ccccc2)c(F)c1)CC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1

HCID178465213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eecd7539dd504c818eb8b47fb343b431
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:79]([O-:80])(=[O:81])[CH3:82].[C:84]([O-:85])(=[O:86])[CH3:87].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[P:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[CH3:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][c:21]1[CH3:22].[CH3:23][C:24]([CH:25]([C:26](=[O:27])[NH:28][CH:29]([CH3:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[NH:37][C:38](=[O:39])[CH:40]([CH2:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:49][CH:50]=[CH2:51])([CH3:52])[CH3:53].[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[CH3:76][C:77]#[N:78].[CH3:88][CH2:89][O:90][C:91](=[O:92])[CH3:93].[F:54][c:55]1[cH:56][c:57]([Br:68])[cH:58][cH:59][c:60]1[O:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Pd+2:83]>>[CH3:23][C:24]([CH:25]([C:26](=[O:27])[NH:28][CH:29]([CH3:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[NH:37][C:38](=[O:39])[CH:40]([CH2:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:49][CH:50]=[CH:51][c:57]1[cH:56][c:55]([F:54])[c:60]([O:61][c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:59][cH:58]1)([CH3:52])[CH3:53]