HRID2158252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(N)ccc1Oc1ccc(C(=O)OC(C)(C)C)cc1

HCID53439211

tert-Butyl 4-(4-amino-2-methylphenoxy)benzoate

C18H21NO3

结构：Cc1cc(Nc2ncnc3cnc(F)cc23)ccc1Oc1cccc(C(=O)OC(C)(C)C)c1

HCID69054647

未命名化合物

HCID135417370

6-fluoropyrido[3,4-d]pyrimidin-4-ol

C7H4FN3O

PRODUCTS

生成物

结构：Cc1cc(Nc2ncnc3cnc(F)cc23)ccc1Oc1ccc(C(=O)OC(C)(C)C)cc1

HCID69054572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85137045df5540fdaabe63dce77df17a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18]([c:19]1[cH:20][cH:21][c:22]([O:25][c:26]2[c:27]([CH3:33])[cH:28][c:29]([NH2:32])[cH:30][cH:31]2)[cH:23][cH:24]1)=[O:34].[C:35]([O:36][C:37](=[O:38])[c:39]1[cH:40][cH:41][cH:42][c:43]([O:44][c:45]2[cH:46][cH:47][c:48]([NH:49][c:50]3[c:51]4[cH:52][c:53]([F:54])[n:55][cH:56][c:57]4[n:58][cH:59][n:60]3)[cH:61][c:62]2[CH3:63])[cH:64]1)([CH3:65])([CH3:66])[CH3:67].[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7][nH:8][c:9]2=[O:10])[cH:11][n:12]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7][n:8][c:9]2[NH:32][c:29]2[cH:28][c:27]([CH3:33])[c:26]([O:25][c:22]3[cH:21][cH:20][c:19]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:34])[cH:24][cH:23]3)[cH:31][cH:30]2)[cH:11][n:12]1