HRID114486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID74653

3-Bromophenylacetic acid

C8H7BrO2

反应SMILES：CC(C)(C)OC(=O)c1cc(C(F)(F)F)ccc1COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID67119026

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)c1cc(C(F)(F)F)ccc1COc1ccc(-c2cccc(CC(=O)O)c2)cc1

HCID67119206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0bdc71d994e84900b65f3446ae8803d4
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

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