HRID1544543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID44119415

[3-Chloro-4-(dimethylcarbamoyl)phenyl]boronic acid

C9H11BClNO3

结构：CC(C(=O)Nc1nncs1)C(c1cccc(F)c1)c1ccc(Br)s1

HCID59138591

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)Nc1nncs1)C(c1cccc(F)c1)c1ccc(-c2ccc(C(=O)N(C)C)c(Cl)c2)s1

HCID59138594

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6575d2bb16474a4f886ccf890adb183f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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