HRID141842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

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：CNC(Cc1ccc2ccccc2c1)C(=O)N(C)C(Cc1ccccc1)C(=O)NCC(F)(F)F

HCID22326980

未命名化合物

HCID54126917

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)C=CCC(C)(C)NC(=O)OC(C)(C)C)C(Cc1ccc2ccccc2c1)C(=O)N(C)C(Cc1ccccc1)C(=O)NCC(F)(F)F

HCID178485684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b44ff12da461459f883f385c6262cc02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][CH:11]=[CH:12][C:13](=[O:14])[OH:15])([CH3:16])[CH3:17].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH3:40][NH:41][CH:42]([C:43](=[O:44])[N:45]([CH:46]([CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[C:54]([NH:55][CH2:56][C:57]([F:58])([F:59])[F:60])=[O:61])[CH3:62])[CH2:63][c:64]1[cH:65][c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[cH:72][cH:73]1.[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[Cl:79][CH2:80][Cl:81].[ClH:28].[OH:18][n:19]1[c:20]2[n:21][cH:22][cH:23][cH:24][c:25]2[n:26][n:27]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][CH:11]=[CH:12][C:13](=[O:15])[N:41]([CH3:40])[CH:42]([C:43](=[O:44])[N:45]([CH:46]([CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[C:54]([NH:55][CH2:56][C:57]([F:58])([F:59])[F:60])=[O:61])[CH3:62])[CH2:63][c:64]1[cH:65][c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[cH:72][cH:73]1)([CH3:16])[CH3:17]