HRID290709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

结构：COc1ccccc1P(=O)(CCP(=O)(c1ccccc1)c1ccccc1OC)c1ccccc1

HCID335508

1-methoxy-2-[2-[(2-methoxyphenyl)-phenylphosphoryl]ethyl-phenylphosphoryl]benzene

C28H28O4P2

结构：COc1ccc(C(C#N)(CCCC2=Cc3cc(OC)c(OC)cc3CN2C)C(C)C)cc1OC

HCID20202190

未命名化合物

PRODUCTS

生成物

HCID129102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-419cab7fec1a4f58b45a738903e57ac2
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

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