HRID2330550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

HCID68711979

未命名化合物

HCID71967731

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)C(CCN1c2ccccc2N(c2cccc(F)c2F)S1(=O)=O)c1ccccc1

HCID86621285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4fdd0627bdbd411eb9069e77cad6d0e8
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

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