HRID1229460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7902

Dimethylaminoethanol

C4H11NO

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：O=C(Nc1nccs1)c1nc(-c2ccc(O)cc2)[nH]c1-c1ccc(F)cc1

HCID178522578

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCOc1ccc(-c2nc(C(=O)Nc3nccs3)c(-c3ccc(F)cc3)[nH]2)cc1

HCID178483867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41cb5eceef3648879f80d58ca9e9970a
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

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