HRID2313625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

结构：O=C(NC(=S)NC1(c2cc(Br)ccc2F)COCC1CO)c1ccccc1

HCID76656268

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1=NC2(c3cc(Br)ccc3F)COCC2CS1)c1ccccc1

HCID57504886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86d3a2d8d395426e8404ae64969d9ae6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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