HRID1211724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID520983

2-Bromo-5-fluorobenzotrifluoride

C7H3BrF4

结构：O=C(NC1(C(=O)NC2CCNCC2O)CCCCC1)c1cc2ccccc2o1

HCID11567995

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1(C(=O)NC2CCN(c3ccc(F)cc3C(F)(F)F)CC2O)CCCCC1)c1cc2ccccc2o1

HCID69311664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b619cf9848c48d7b83a87988304f8c9
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

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