HRID684942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID44223748

未命名化合物

HCID46192923

2,6-Difluoro-3-[(propane-1-sulfonyl)amino]benzoic acid

C10H11F2NO4S

PRODUCTS

生成物

结构：CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OCCF)c3c2)c1F

HCID86652506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eff1928ce0274e34805ba9e9296bf504
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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