HRID201072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)c1ccc(OCc2ccc(F)cc2)c(OCc2ccc(F)cc2)c1

HCID18627055

3,4-Bis[(4-fluorophenyl)methoxy]benzoic acid

C21H16F2O4

结构：COc1ccc(NC(=O)C(CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1O

HCID178492375

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)C(CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)c2ccc(OCc3ccc(F)cc3)c(OCc3ccc(F)cc3)c2)cc1O

HCID178492374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a580076dba14d7eab5f92841ab392c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[F:56][c:57]1[cH:58][cH:59][c:60]([CH2:61][O:62][c:63]2[cH:64][c:65]([C:66]([OH:67])=[O:68])[cH:69][cH:70][c:71]2[O:72][CH2:73][c:74]2[cH:75][cH:76][c:77]([F:80])[cH:78][cH:79]2)[cH:81][cH:82]1.[cH:1]1[c:2]2[c:12]([cH:13][cH:14][cH:17]1)-[c:7]1[c:6]([cH:11][cH:10][cH:9][cH:8]1)[CH:3]2[CH2:4][O:15][C:16](=[O:5])[NH:18][CH:19]([CH2:20][CH2:21][C:22]([NH:23][C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)=[O:43])[C:44](=[O:45])[NH:46][c:47]1[cH:48][c:49]([OH:55])[c:50]([O:53][CH3:54])[cH:51][cH:52]1>>[O:15]=[C:16]([NH:18][CH:19]([CH2:20][CH2:21][C:22]([NH:23][C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)=[O:43])[C:44](=[O:45])[NH:46][c:47]1[cH:48][c:49]([OH:55])[c:50]([O:53][CH3:54])[cH:51][cH:52]1)[c:65]1[cH:64][c:63]([O:62][CH2:61][c:60]2[cH:59][cH:58][c:57]([F:56])[cH:82][cH:81]2)[c:71]([O:72][CH2:73][c:74]2[cH:75][cH:76][c:77]([F:80])[cH:78][cH:79]2)[cH:70][cH:69]1