HRID1557592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID58095343

未命名化合物

HCID178508013

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cnc2[nH]nc(C3CC3)c2c1)c1c(F)ccc(NS(=O)(=O)CCCF)c1F

HCID178522374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec859fd23d1346cfa27d85f5513a2597
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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].[CH:1]1([c:4]2[n:5][nH:6][c:7]3[n:8][cH:9][c:10]([NH2:13])[cH:11][c:12]23)[CH2:2][CH2:3]1.[F:14][c:15]1[c:16]([C:17](=[O:18])[OH:19])[c:20]([F:32])[cH:21][cH:22][c:23]1[NH:24][S:25](=[O:26])(=[O:27])[CH2:28][CH2:29][CH2:30][F:31].[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>>[CH:1]1([c:4]2[n:5][nH:6][c:7]3[n:8][cH:9][c:10]([NH:13][C:17]([c:16]4[c:15]([F:14])[c:23]([NH:24][S:25](=[O:26])(=[O:27])[CH2:28][CH2:29][CH2:30][F:31])[cH:22][cH:21][c:20]4[F:32])=[O:18])[cH:11][c:12]23)[CH2:2][CH2:3]1