HRID1575839

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID62386

Cyclohexylamine, N-isopropyl-

C9H19N

结构：C=CCC1CC(=O)N1C(C(=O)OCc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1

HCID12796969

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：C=CCC1C(C(C)(C)O)C(=O)N1C(C(=O)OCc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1

HCID12800412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0c9e0b5b2784f01ad6ce5b26047b34b
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

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