HRID293847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID13035

Piperidine, 2,2,6,6-tetramethyl-

C9H19N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(=O)CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)OC(C)(C)C)C2SC1

HCID13233310

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)OC(C)(C)C)C2SC1)OS(C)(=O)=O

HCID54053223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec0ca2dc2a4d4f759044f014f7f5a27b
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

[CH2:16]([C:17](=[O:18])[CH3:19])[C:20]1=[C:21]([C:37](=[O:38])[O:39][CH:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[N:22]2[C:23](=[O:36])[CH:24]([NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH:25]2[S:26][CH2:27]1.[CH3:53][S:54]([Cl:55])(=[O:56])=[O:57].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH3:6][C:7]1([CH3:8])[CH2:9][CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[NH:15]1.[Li:1][CH2:2][CH2:3][CH2:4][CH3:5].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1>>[CH:16](=[C:17]([O:18][S:54]([CH3:53])(=[O:56])=[O:57])[CH3:19])[C:20]1=[C:21]([C:37](=[O:38])[O:39][CH:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[N:22]2[C:23](=[O:36])[CH:24]([NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH:25]2[S:26][CH2:27]1