HRID1557576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID2757009

6-bromopyridine-2-carbaldehyde

C6H4BrNO

结构：Cc1cc(C)c(NCc2ccc3ccccc3c2B2OC(C)(C)C(C)(C)O2)c(C)c1

HCID66795763

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：Cc1cc(C)c(NCc2ccc3ccccc3c2-c2cccc(C=O)n2)c(C)c1

HCID86660103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-445765c3f2f34f8593dacca54212e788
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH:8]=[O:9])[n:7]1.[C:40]([O:41][CH2:42][CH3:43])(=[O:44])[CH3:45].[CH3:10][c:11]1[c:12]([NH:13][CH2:14][c:15]2[c:16]([B:25]3[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]3)[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[cH:23][cH:24]2)[c:34]([CH3:39])[cH:35][c:36]([CH3:38])[cH:37]1.[CH3:49][OH:50].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cl:46][CH2:47][Cl:48].[OH2:51].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([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)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([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)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[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)[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)[cH:134][cH:135]1>>[c:2]1(-[c:16]2[c:15]([CH2:14][NH:13][c:12]3[c:11]([CH3:10])[cH:37][c:36]([CH3:38])[cH:35][c:34]3[CH3:39])[cH:24][cH:23][c:22]3[c:17]2[cH:18][cH:19][cH:20][cH:21]3)[cH:3][cH:4][cH:5][c:6]([CH:8]=[O:9])[n:7]1