HRID2142612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2734657

4-Acetamidophenylboronic acid

C8H10BNO3

结构：Clc1nc(N2CC3CCC(C2)O3)c2cnn(C3CCCCO3)c2n1

HCID57654279

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCCCO4)c3n2)cc1

HCID66589148

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df777a55bef14ca59d36133fd3a76499
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:25]([CH3:26])(=[O:27])[NH:28][c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[CH3:121][O:122][CH2:123][CH2:124][O:125][CH3:126].[Cl:1][c:2]1[n:3][c:4]([N:17]2[CH2:18][CH:19]3[CH2:20][CH2:21][CH:22]([CH2:23]2)[O:24]3)[c:5]2[c:6]([n:7]1)[n:8]([CH:11]1[O:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[n:9][cH:10]2.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[Pd:44].[c:102]1([P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117][cH:118][cH:119][cH:120]1.[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[c:83]1([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[cH:97][cH:98][cH:99][cH:100][cH:101]1>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]([NH:28][C:25]([CH3:26])=[O:27])[cH:34][cH:33]2)[n:3][c:4]([N:17]2[CH2:18][CH:19]3[CH2:20][CH2:21][CH:22]([CH2:23]2)[O:24]3)[c:5]2[c:6]([n:7]1)[n:8]([CH:11]1[O:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[n:9][cH:10]2