HRID946624

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6417

2,2-Dimethylpropanoic acid

C5H10O2

结构：O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)COc1ccccc1

HCID11015099

1-Phenoxy-3-(triphenyl-lambda~5~-phosphanylidene)propan-2-one

C27H23O2P

HCID53706805

未命名化合物

PRODUCTS

生成物

HCID6417

2,2-Dimethylpropanoic acid

C5H10O2

结构：C=S1C2C(=CC(=O)COc3ccccc3)C(=O)N2C(C(=O)O)C1(C)C

HCID178503049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bad6635c3a940a3b76f5d843f7eabd8
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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