HRID676346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Oc2ccccc2)cc1

HCID11057211

未命名化合物

HCID66876754

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3cc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C)cc4)c(F)cc3F)c2cc1OC

HCID58267766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dada0fbbea041fcb611c019467b935c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[c:29]1[n:30][n:31](-[c:44]2[cH:45][cH:46][c:47]([CH3:50])[cH:48][cH:49]2)[c:32]([NH:34][C:35]([O:36][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:37])[cH:33]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[c:17]([F:24])[cH:18][c:19]([F:23])[c:20]([NH2:21])[cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[c:17]([F:24])[cH:18][c:19]([F:23])[c:20]([NH:21][C:35]([NH:34][c:32]4[n:31](-[c:44]5[cH:45][cH:46][c:47]([CH3:50])[cH:48][cH:49]5)[n:30][c:29]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:33]4)=[O:36])[cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]