HRID2155702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1

HCID87949

p-Anisyldithiophosphonic anhydride

C14H14O2P2S4

结构：COC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)C1(CCCCS(C)(=O)=O)CCCC1

HCID18406014

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=S)C1(CCCCS(C)(=O)=O)CCCC1

HCID18405991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b8950217c8147389de91146e1d2e9d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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