HRID1227046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1049

Pyridine

C5H5N

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID24682

Sulfur trioxide

O3S

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：COCCCOc1cc(C2C(C(C)C)CC(CO)N2C(=O)OC(C)(C)C)ccc1OC

HCID73173791

未命名化合物

PRODUCTS

产物

HCID73173825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-914661395b54431da29c152fde148975
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

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