HRID1125554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2733958

2-Methoxyphenylboronic acid

C7H9BO3

结构：O=C1c2c(I)ccnc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID11478095

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1ccnc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2

HCID22184431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0b6a6f3c23a48768eebb08f8174d4a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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