HRID2348186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID11661

Tetramethyltin

C4H12Sn

HCID11776

Triphenylphosphine

C18H15P

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID105144

Palladium(2+)

Pd+2

结构：COc1ccc(C(Nc2ncnc3c2ncn3C2CC(OC(=O)c3ccccc3)C(COC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)O2)(c2ccccc2)c2ccccc2)cc1

HCID178491025

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(Nc2ncnc3c2ncn3C2CC(O)C(COC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)O2)(c2ccccc2)c2ccccc2)cc1

HCID178491023

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8abb30bbcf3e4f95bacca097f60d3248
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:107]([O-:108])(=[O:109])[CH3:110].[C:112]([O-:113])(=[O:114])[CH3:115].[CH3:100][N:101]1[CH2:102][CH2:103][CH2:104][C:105]1=[O:106].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][c:21]2[c:22]3[n:23][cH:24][n:25]([CH:30]4[CH2:31][CH:32]([O:33][C:34](=[O:35])[c:36]5[cH:37][cH:38][cH:39][cH:40][cH:41]5)[CH:42]([CH2:44][O:45][C:46]([c:47]5[cH:48][cH:49][c:50]([O:53][CH3:54])[cH:51][cH:52]5)([c:55]5[cH:56][cH:57][cH:58][cH:59][cH:60]5)[c:61]5[cH:62][cH:63][cH:64][cH:65][cH:66]5)[O:43]4)[c:26]3[n:27][cH:28][n:29]2)[cH:67][cH:68]1.[CH3:88][CH2:89][N:90]([CH2:91][CH3:92])[CH2:93][CH3:94].[CH3:95][Sn:96]([CH3:97])([CH3:98])[CH3:99].[OH2:116].[Pd+2:111].[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][c:21]2[c:22]3[n:23][cH:24][n:25]([CH:30]4[CH2:31][CH:32]([OH:33])[CH:42]([CH2:44][O:45][C:46]([c:47]5[cH:48][cH:49][c:50]([O:53][CH3:54])[cH:51][cH:52]5)([c:55]5[cH:56][cH:57][cH:58][cH:59][cH:60]5)[c:61]5[cH:62][cH:63][cH:64][cH:65][cH:66]5)[O:43]4)[c:26]3[n:27][cH:28][n:29]2)[cH:67][cH:68]1