HRID114079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21

HCID59619739

未命名化合物

结构：COc1nc2cc(B3OC(C)(C)C(C)(C)O3)cnc2n1C

HCID59619961

未命名化合物

PRODUCTS

生成物

结构：COc1nc2cc(-c3ccc4ncc5c(c4c3)n(-c3cn(C)nc3C)c(=O)n5C)cnc2n1C

HCID59619855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ec8b111811a4060a1c3bbb37a4236a2
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[cH:3][c:4]2[c:5]3[c:6]([cH:7][n:8][c:9]2[cH:10][cH:11]1)[n:12]([CH3:23])[c:13](=[O:22])[n:14]3-[c:15]1[c:16]([CH3:21])[n:17][n:18]([CH3:20])[cH:19]1.[CH3:24][O:25][c:26]1[n:27][c:28]2[c:29]([n:30][cH:31][c:32]([B:34]3[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]3)[cH:33]2)[n:43]1[CH3:44]>>[c:2]1(-[c:32]2[cH:31][n:30][c:29]3[c:28]([n:27][c:26]([O:25][CH3:24])[n:43]3[CH3:44])[cH:33]2)[cH:3][c:4]2[c:5]3[c:6]([cH:7][n:8][c:9]2[cH:10][cH:11]1)[n:12]([CH3:23])[c:13](=[O:22])[n:14]3-[c:15]1[c:16]([CH3:21])[n:17][n:18]([CH3:20])[cH:19]1