HRID1551102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID425305

STK256619

C13H16NOS+

结构：C=CC(=O)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1

HCID59331258

未命名化合物

HCID59331383

未命名化合物

PRODUCTS

生成物

结构：CC(O)c1cnc(C(=O)CCC(=O)C(CC2CCOCC2)c2ccc(S(=O)(=O)C3CC3)cc2)s1

HCID59331309

5-[4-(Cyclopropylsulfonyl)phenyl]-1-[5-(1-hydroxyethyl)-2-thiazolyl]-6-(tetrahydro-2H-pyran-4-yl)-1,4-hexanedione

C25H31NO6S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-386a897b06de4fd99393fd10c7ef53c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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