HRID316896

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID59619681

未命名化合物

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

HCID59620078

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C(C)C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(F)c(N)c4)cc3c21

HCID59619683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a34a41d6ad1a4d05b79389a856e45de3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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]([CH3:25])[c:13](=[O:24])[n:14]3-[c:15]1[c:16]([CH3:23])[n:17][n:18]([CH:20]([CH3:21])[CH3:22])[cH:19]1.[F:26][c:27]1[n:28][cH:29][c:30]([B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[cH:31][c:32]1[NH2:33]>>[c:2]1(-[c:30]2[cH:29][n:28][c:27]([F:26])[c:32]([NH2:33])[cH:31]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]([CH3:25])[c:13](=[O:24])[n:14]3-[c:15]1[c:16]([CH3:23])[n:17][n:18]([CH:20]([CH3:21])[CH3:22])[cH:19]1