HRID1226483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID795

Imidazole

C3H4N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID139400

Triisopropylsilyl chloride

C9H21ClSi

HCID57407756

未命名化合物

结构：COc1cc(OCCF)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nn(-c3ncccn3)c(=O)[nH]2)c1

HCID136007809

未命名化合物

PRODUCTS

生成物

结构：C=CCc1cc(Br)cc(OC)c1O[Si](C(C)C)(C(C)C)C(C)C

HCID67097015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c5dfb4a15ba421c8cd93be342a99cd9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([OH:2])(=[O:3])[CH3:4].[CH2:41]([CH:42]=[CH2:43])[c:44]1[c:45]([OH:53])[c:46]([O:51][CH3:52])[cH:47][c:48]([Br:50])[cH:49]1.[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[Cl:59][Si:60]([CH:61]([CH3:62])[CH3:63])([CH:64]([CH3:65])[CH3:66])[CH:67]([CH3:68])[CH3:69].[ClH:70].[F:5][c:6]1[c:7]([O:8][CH2:9][CH2:10][F:11])[cH:12][c:13]([O:14][CH3:15])[cH:16][c:17]1[CH:18]([NH:19][c:20]1[cH:21][cH:22][c:23]([C:24]([NH2:25])=[NH:26])[cH:27][cH:28]1)[c:29]1[nH:30][c:31](=[O:32])[n:33](-[c:34]2[n:35][cH:36][cH:37][cH:38][n:39]2)[n:40]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[nH:54]1[cH:55][cH:56][n:57][cH:58]1>>[CH2:41]([CH:42]=[CH2:43])[c:44]1[c:45]([O:53][Si:60]([CH:61]([CH3:62])[CH3:63])([CH:64]([CH3:65])[CH3:66])[CH:67]([CH3:68])[CH3:69])[c:46]([O:51][CH3:52])[cH:47][c:48]([Br:50])[cH:49]1