HRID124688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID8857

Ethyl Acetate

C4H8O2

HCID92342

Pyridine, 2-chloro-5-(trifluoromethyl)-

C6H3ClF3N

HCID2776266

Benzofuran-2-boronic acid

C8H7BO3

HCID178420554

未命名化合物

PRODUCTS

产物

HCID20767336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-850cfe8778cc489a9f0c5312b281c5c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH3:111][CH2:112][O:113][C:114](=[O:115])[CH3:116].[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH3:31][CH2:32][OH:33].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([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)([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([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)[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([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)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110]1.[o:12]1[c:13]([B:21]([OH:22])[OH:23])[cH:14][c:15]2[c:16]1[cH:17][cH:18][cH:19][cH:20]2>>[c:2]1(-[c:13]2[o:12][c:16]3[c:15]([cH:14]2)[cH:20][cH:19][cH:18][cH:17]3)[n:3][cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1