HRID298525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

HCID24682

Sulfur trioxide

O3S

结构：COc1ccc(N2CCOCC2)c2sc(C(=O)NC3CCN(C(=O)OC(C)(C)C)CCC3O)nc12

HCID69184115

未命名化合物

PRODUCTS

生成物

HCID69184150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaa227581caa405783d633055c06a969
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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