HRID305656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24901771

[3-(Ethoxycarbonyl)-4-fluorophenyl]boronic acid

C9H10BFO4

结构：CC(c1ccc(Br)cc1Cl)C(O)(c1ccc2oc(=O)n(C)c2c1)C(F)(F)F

HCID66696981

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(-c2ccc(C(C)C(O)(c3ccc4oc(=O)n(C)c4c3)C(F)(F)F)c(Cl)c2)ccc1F

HCID66696997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffe930ec45f544a0b63924b6a610ef96
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

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