HRID163134

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID10486805

未命名化合物

结构：CC(C)(O)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)O)cc21

HCID67417664

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)NC3CCNC3=O)cc21

HCID67416254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9353e4616de0459890c23c3fa3ca6100
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

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