HRID293897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2759226

4-(4'-Formyl-3'-methoxy)phenoxy butyric acid

C12H14O5

结构：Nc1cccc(-c2c(C(=O)c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

HCID11326798

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OCCCC(=O)O)ccc1CNc1cccc(-c2c(C(=O)c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

HCID66913564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-955929e291a2471da5b8d8205a317dfc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH:30](=[O:31])[c:32]1[c:33]([O:45][CH3:46])[cH:34][c:35]([O:36][CH2:37][CH2:38][CH2:39][C:40](=[O:41])[OH:42])[cH:43][cH:44]1.[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]([C:22](=[O:23])[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:10][n:11][c:12]3[c:13]([C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16][c:17]23)[cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[c:9]([C:22](=[O:23])[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:10][n:11][c:12]3[c:13]([C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16][c:17]23)[cH:5][cH:6][cH:7]1)[CH2:30][c:32]1[c:33]([O:45][CH3:46])[cH:34][c:35]([O:36][CH2:37][CH2:38][CH2:39][C:40](=[O:41])[OH:42])[cH:43][cH:44]1