HRID2132050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccccn1

HCID607784

2-(Tributylstannyl)pyridine

C17H31NSn

结构：COC(=O)c1cc(Br)cc(C(=O)NC(C(=O)N2CCC(O)(c3ccc(Cl)cc3)C(C)(C)C2)C(C)C)c1

HCID76725492

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(C(=O)NC(C(=O)N2CCC(O)(c3ccc(Cl)cc3)C(C)(C)C2)C(C)C)cc(-c2ccccn2)c1

HCID76725516

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13c4efb1850044c1b97f0c4c2843bc9a
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

[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([C:12]([NH:13][CH:14]([C:15](=[O:16])[N:17]2[CH2:18][C:19]([CH3:31])([CH3:32])[C:20]([OH:23])([c:24]3[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]3)[CH2:21][CH2:22]2)[CH:33]([CH3:34])[CH3:35])=[O:36])[cH:11]1.[CH2:37]([Sn:38]([CH2:39][CH2:40][CH2:41][CH3:48])([c:42]1[n:43][cH:44][cH:45][cH:46][cH:47]1)[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:63][OH:64].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[c:2]1(-[c:42]2[n:43][cH:44][cH:45][cH:46][cH:47]2)[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([C:12]([NH:13][CH:14]([C:15](=[O:16])[N:17]2[CH2:18][C:19]([CH3:31])([CH3:32])[C:20]([OH:23])([c:24]3[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]3)[CH2:21][CH2:22]2)[CH:33]([CH3:34])[CH3:35])=[O:36])[cH:11]1