HRID178755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

HCID4985744

2-Fluoro-3-methoxyphenylboronic acid

C7H8BFO3

结构：Cc1c(Br)c(=O)n(CC(NC(=O)OC(C)(C)C)C2CCCCC2)c(=O)n1Cc1c(F)cccc1F

HCID22037863

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(NC(=O)OC(C)(C)C)C3CCCCC3)c2=O)c1F

HCID178489746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-270c62029ef946dba528a62e2e2054b0
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:1][c:2]1[c:3](=[O:35])[n:4]([CH2:19][CH:20]([CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[c:5](=[O:18])[n:6]([CH2:9][c:10]2[c:11]([F:17])[cH:12][cH:13][cH:14][c:15]2[F:16])[c:7]1[CH3:8].[F:36][c:37]1[c:38]([B:45]([OH:46])[OH:47])[cH:39][cH:40][cH:41][c:42]1[O:43][CH3:44].[N:48]#[N:49]>>[c:2]1(-[c:38]2[c:37]([F:36])[c:42]([O:43][CH3:44])[cH:41][cH:40][cH:39]2)[c:3](=[O:35])[n:4]([CH2:19][CH:20]([CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[c:5](=[O:18])[n:6]([CH2:9][c:10]2[c:11]([F:17])[cH:12][cH:13][cH:14][c:15]2[F:16])[c:7]1[CH3:8]