HRID1219078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID520822

4-Trifluoromethyl-1,2-phenylenediamine

C7H7F3N2

反应SMILES：Cc1[nH]c(C=NN=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCCCC(=O)O

HCID136387951

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1[nH]c(C=NN=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCCCC(=O)Nc1ccc(C(F)(F)F)cc1N

HCID136387958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-73d316ef61ba4582b89c0469c066641d
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

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