HRID150973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1512675

Methyl 3-(3-hydroxyphenyl)propanoate

C10H12O3

结构：CCCCOc1cc(COc2cccc(C(CC(=O)O)C(F)(F)F)c2)ccc1-c1cc(OC)ccc1F

HCID74437806

未命名化合物

PRODUCTS

生成物

结构：CCCCOc1cc(COc2cccc(CCC(=O)O)c2)ccc1-c1cc(OC)ccc1F

HCID57706551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0de6aea79504c0b8910e40b84b01c53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:14]([CH2:15][CH2:16][CH3:17])[O:18][c:19]1[c:20](-[c:42]2[c:43]([F:50])[cH:44][cH:45][c:46]([O:48][CH3:49])[cH:47]2)[cH:21][cH:22][c:23]([CH2:25][O:26][c:27]2[cH:28][c:29]([CH:33]([CH2:34][C:35](=[O:36])[OH:37])[C:38]([F:39])([F:40])[F:41])[cH:30][cH:31][cH:32]2)[cH:24]1.[OH:1][c:2]1[cH:3][c:4]([CH2:5][CH2:6][C:7]([O:8][CH3:9])=[O:10])[cH:11][cH:12][cH:13]1>>[CH2:14]([CH2:15][CH2:16][CH3:17])[O:18][c:19]1[c:20](-[c:42]2[c:43]([F:50])[cH:44][cH:45][c:46]([O:48][CH3:49])[cH:47]2)[cH:21][cH:22][c:23]([CH2:25][O:26][c:27]2[cH:28][c:29]([CH2:33][CH2:34][C:35](=[O:36])[OH:37])[cH:30][cH:31][cH:32]2)[cH:24]1