HRID675412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24386

Thionyl chloride

Cl2OS

结构：Cc1cc(N)ccc1Oc1cccc(C(=O)OC(C)(C)C)c1

HCID53439210

tert-Butyl 3-(4-amino-2-methylphenoxy)benzoate

C18H21NO3

HCID135417370

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

C7H4FN3O

PRODUCTS

生成物

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

HCID69054647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a0921a8dc6e4158957b66df61ed06fe
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:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22]([c:23]1[cH:24][c:25]([O:29][c:30]2[c:31]([CH3:37])[cH:32][c:33]([NH2:36])[cH:34][cH:35]2)[cH:26][cH:27][cH:28]1)=[O:38].[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.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[S:13]([Cl:14])([Cl:15])=[O:16]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7][n:8][c:9]2[NH:36][c:33]2[cH:32][c:31]([CH3:37])[c:30]([O:29][c:25]3[cH:24][c:23]([C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:38])[cH:28][cH:27][cH:26]3)[cH:35][cH:34]2)[cH:11][n:12]1