HRID1134754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID10081367

tert-Butyl methylsulfonylcarbamate

C6H13NO4S

结构：CC(CCO)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1

HCID23028858

未命名化合物

PRODUCTS

生成物

结构：CC(CCN(C(=O)OC(C)(C)C)S(C)(=O)=O)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1

HCID59750918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1657ba81d7d74708b87a39166b0bf590
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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