HRID117742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

结构：O=C(O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID161237

未命名化合物

HCID4574913

未命名化合物

结构：Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3C=O)cc2)cc1

HCID22010987

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3C=CCCCC(=O)O)cc2)cc1

HCID70068731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1a9af03922f4b3ca0f3f740c31ff03f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:1].[C:2](=[O:3])([OH:4])[CH2:5][CH2:6][CH2:7][CH2:8][P+:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[CH3:28][C:29]([CH3:30])([O-:31])[CH3:32].[CH3:34][c:35]1[cH:36][cH:37][c:38](-[c:41]2[c:42]([C:47](=[O:48])[NH:49][c:50]3[cH:51][cH:52][c:53]([C:54](=[O:55])[N:56]([c:57]4[c:58]([CH:63]=[O:64])[cH:59][cH:60][cH:61][cH:62]4)[CH3:65])[cH:66][cH:67]3)[cH:43][cH:44][cH:45][cH:46]2)[cH:39][cH:40]1.[CH3:68][N:69]([CH3:70])[C:71](=[O:72])[CH3:73].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[K+:33]>>[C:2](=[O:3])([OH:4])[CH2:5][CH2:6][CH2:7][CH:8]=[CH:28][c:58]1[c:57]([N:56]([C:54]([c:53]2[cH:52][cH:51][c:50]([NH:49][C:47]([c:42]3[c:41](-[c:38]4[cH:37][cH:36][c:35]([CH3:34])[cH:40][cH:39]4)[cH:46][cH:45][cH:44][cH:43]3)=[O:48])[cH:67][cH:66]2)=[O:55])[CH3:65])[cH:62][cH:61][cH:60][cH:59]1