HRID817421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

PRODUCTS

生成物

HCID20469089

[4-Methoxy-1-methyl-5-(2-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid

C16H17NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86a89d349e39400795c947f7b4bc0d69
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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