HRID301337

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24014

未命名化合物

结构：O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1Cl

HCID21847817

7-Chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine

C14H7Cl2FN4O2

HCID22354399

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：CN1CCN(C(C)(C)C#Cc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2[N+](=O)[O-])CC1

HCID17864574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9adb0aa0aa4b487880ddec994f5309c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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