HRID163943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53363739

[4-Fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid

C10H14BFO3

结构：CC1C(c2cc(C(F)(F)F)cc([N+](=O)[O-])c2I)OC(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID178422038

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(C(C)C)cc1-c1c(C2OC(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)cc(C(F)(F)F)cc1[N+](=O)[O-]

HCID178492938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56ac60f4d80c4e6faf83210b73218d90
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

[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:27])[O:9][CH:10]([c:13]3[c:14]([I:26])[c:15]([N+:23](=[O:24])[O-:25])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]3)[CH:11]2[CH3:12])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:35])[F:36].[F:37][c:38]1[cH:39][c:40]([O:50][CH3:51])[c:41]([B:47]([OH:48])[OH:49])[cH:42][c:43]1[CH:44]([CH3:45])[CH3:46]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:27])[O:9][CH:10]([c:13]3[c:14](-[c:41]4[c:40]([O:50][CH3:51])[cH:39][c:38]([F:37])[c:43]([CH:44]([CH3:45])[CH3:46])[cH:42]4)[c:15]([N+:23](=[O:24])[O-:25])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]3)[CH:11]2[CH3:12])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:35])[F:36]