HRID697564

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

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID66750490

未命名化合物

结构：O=C1CN(c2cc3cc(Br)ccc3cc2OCc2ccccc2)S(=O)(=O)N1

HCID66750633

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1c(OCCC=Cc2ccc3cc(OCc4ccccc4)c(N4CC(=O)NS4(=O)=O)cc3c2)cccc1OCc1ccccc1

HCID66750676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-250af1a391a54195a9f1470d37b9b624
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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