HRID1565440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID46739162

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2H-indol-2-one

C14H18BNO3

结构：CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2ccc(Cl)s2)n1

HCID60204470

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(=O)NC(=O)N1CCNc1ncc(-c2ccc3c(c2)NC(=O)C3)c(-c2ccc(Cl)s2)n1

HCID60204492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b0ad451c9ae4b3d9ffc3a55056475dc
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[c:3](-[c:20]2[s:21][c:22]([Cl:25])[cH:23][cH:24]2)[n:4][c:5]([NH:8][CH2:9][CH2:10][N:11]2[C:12](=[O:19])[NH:13][C:14](=[O:18])[C:15]2([CH3:16])[CH3:17])[n:6][cH:7]1.[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([c:34]2[cH:35][cH:36][c:37]3[c:41]([cH:42]2)[NH:40][C:39](=[O:43])[CH2:38]3)[O:44]1>>[c:2]1(-[c:34]2[cH:35][cH:36][c:37]3[c:41]([cH:42]2)[NH:40][C:39](=[O:43])[CH2:38]3)[c:3](-[c:20]2[s:21][c:22]([Cl:25])[cH:23][cH:24]2)[n:4][c:5]([NH:8][CH2:9][CH2:10][N:11]2[C:12](=[O:19])[NH:13][C:14](=[O:18])[C:15]2([CH3:16])[CH3:17])[n:6][cH:7]1