HRID1215105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID12477074

未命名化合物

HCID20555771

未命名化合物

PRODUCTS

生成物

结构：CCCCCCP(=O)(OCCC)Oc1cccc(CCCC=NNC(=S)c2ccc(C)cc2)c1

HCID54495403

O-propyl O-{3-[4(4-methylthiobenzoylhydrazono)butyl]phenyl} hexylphosphonate

C27H39N2O3PS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14839333b8b248b3b8d998be0a5acc63
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

[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[P:7]([O:8][CH2:9][CH2:10][CH3:11])([O:12][c:13]1[cH:14][c:15]([CH2:19][CH2:20][CH2:21][CH:22]=[O:23])[cH:16][cH:17][cH:18]1)=[O:24].[CH2:38]([Cl:39])[Cl:40].[CH3:25][c:26]1[cH:27][cH:28][c:29]([C:30](=[S:31])[NH:32][NH2:33])[cH:34][cH:35]1.[CH3:36][OH:37]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[P:7]([O:8][CH2:9][CH2:10][CH3:11])([O:12][c:13]1[cH:14][c:15]([CH2:19][CH2:20][CH2:21][CH:22]=[N:33][NH:32][C:30]([c:29]2[cH:28][cH:27][c:26]([CH3:25])[cH:35][cH:34]2)=[S:31])[cH:16][cH:17][cH:18]1)=[O:24]