HRID812974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6115

Aniline

C6H7N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：O=C(O)C1CCc2ncc(N(Cc3cccc(C(F)(F)F)c3)C(=O)OCc3ccccc3)c(=O)n21

HCID21979721

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccccc1)C1CCc2ncc(N(Cc3cccc(C(F)(F)F)c3)C(=O)OCc3ccccc3)c(=O)n21

HCID178521910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb50dd3a2e964640b4103473f2ff8cb5
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]([c:12]1[cH:13][n:14][c:15]2[n:16]([c:17]1=[O:18])[CH:19]([C:22](=[O:23])[OH:24])[CH2:20][CH2:21]2)[CH2:25][c:26]1[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]1.[CH3:58][CH2:59][N:60]=[C:61]=[N:62][CH2:63][CH2:64][CH2:65][N:66]([CH3:67])[CH3:68].[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[Cl:75][CH2:76][Cl:77].[NH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Na+:57].[O-:53][C:54]([OH:55])=[O:56].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH:43][n:44]1[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]([c:12]1[cH:13][n:14][c:15]2[n:16]([c:17]1=[O:18])[CH:19]([C:22](=[O:24])[NH:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[CH2:20][CH2:21]2)[CH2:25][c:26]1[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]1