HRID203784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3416339

3-Bromo-4-fluorophenylacetic Acid

C8H6BrFO2

结构：CC1C(c2ccccc2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1

HCID77163801

未命名化合物

PRODUCTS

生成物

结构：CC1C(c2ccccc2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1F

HCID66889809

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45f50c987ef643e3b4068339051fee4b
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

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