HRID1209940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)O

HCID58031581

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)NCc1cccnc1

HCID59481232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58249526183648b19097e947a748c015
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

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