HRID94387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID60204470

未命名化合物

结构：CC(C)(C)OC(=O)n1ccc2c(B3OC(C)(C)C(C)(C)O3)cccc21

HCID60204498

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1ccc2c(-c3cnc(NCCN4C(=O)NC(=O)C4(C)C)nc3-c3ccc(Cl)s3)cccc21

HCID60204496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7e50b6a41a64916bb58d8c2dccf354c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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[c:35]3[cH:36][cH:37][n:38]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[c:39]3[cH:40][cH:41][cH:42]2)[O:50]1>>[c:2]1(-[c:34]2[c:35]3[cH:36][cH:37][n:38]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[c:39]3[cH:40][cH:41][cH:42]2)[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