HRID126013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2782719

4'-(Trifluoromethyl)[1,1'-biphenyl]-4-carboxylic acid

C14H9F3O2

结构：COC(=O)C(COCc1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

HCID178500892

未命名化合物

HCID178501658

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(COCc1ccc(-c2ccccc2)cc1)C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

HCID21921720

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce181562b1f8498ab42b81ecc2d0ddec
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

[CH3:2][O:3][C:4](=[O:5])[CH:6]([NH2:7])[CH2:8][O:9][CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22]1.[CH3:42][O:43][C:44]([CH:45]([CH2:46][O:47][CH2:48][c:49]1[cH:50][cH:51][c:52](-[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:53][cH:54]1)[NH:61][C:62](=[O:63])[c:64]1[cH:65][cH:66][c:67](-[c:70]2[cH:71][cH:72][c:73]([C:76]([F:77])([F:78])[F:79])[cH:74][cH:75]2)[cH:68][cH:69]1)=[O:80].[ClH:1].[F:23][C:24]([F:25])([F:26])[c:27]1[cH:28][cH:29][c:30](-[c:31]2[cH:32][cH:33][c:34]([C:35]([OH:36])=[O:37])[cH:38][cH:39]2)[cH:40][cH:41]1>>[O:43]=[C:44]([CH:45]([CH2:46][O:47][CH2:48][c:49]1[cH:50][cH:51][c:52](-[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:53][cH:54]1)[NH:61][C:62](=[O:63])[c:64]1[cH:65][cH:66][c:67](-[c:70]2[cH:71][cH:72][c:73]([C:76]([F:77])([F:78])[F:79])[cH:74][cH:75]2)[cH:68][cH:69]1)[OH:80]