HRID1221991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8021

Diethylamine

C4H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID12519

Phenylphosphine

C6H7P

HCID15413

Methyl tert-butyl ether

C5H12O

结构：CC(OP(=O)(c1ccccc1)c1ccccc1)c1ccccc1C(C)OP(=O)(c1ccccc1)c1ccccc1

HCID86603002

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID69308628

2,3-Dihydro-1,3-dimethyl-2-phenyl-1H-isophosphindole

C16H17P

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee4d55e1db7a42489fbb3a86c437a07d
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

[C:65]([O:66][CH3:67])([CH3:68])([CH3:69])[CH3:70].[CH2:1]([NH:2][CH2:3][CH3:4])[CH3:5].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:6][CH2:7][CH2:8][CH2:9][Li:10].[Na+:59].[OH-:58].[OH2:71].[c:11]1([PH2:17])[cH:12][cH:13][cH:14][cH:15][cH:16]1.[c:18]1([P:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)([O:26][CH:27]([CH3:28])[c:29]2[c:30]([CH:35]([CH3:36])[O:37][P:38]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)=[O:51])[cH:31][cH:32][cH:33][cH:34]2)=[O:52])[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[c:11]1([P:17]2[CH:27]([CH3:28])[c:29]3[c:30]([cH:31][cH:32][cH:33][cH:34]3)[CH:35]2[CH3:36])[cH:12][cH:13][cH:14][cH:15][cH:16]1