HRID289647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：CCOC(=O)C(C)(C)Oc1ccc(OCc2c(C)nc(-c3ccc(C(F)(F)F)cc3)nc2CCOC)cc1C

HCID67072414

未命名化合物

PRODUCTS

产物

反应SMILES：COCCc1nc(-c2ccc(C(F)(F)F)cc2)nc(C)c1COc1ccc(OC(C)(C)C(=O)O)c(C)c1

HCID11260889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8c3044d576454320a50c13d791f80029
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

[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:38])[cH:11][c:12]([O:15][CH2:16][c:17]2[c:18]([CH2:34][CH2:35][O:36][CH3:37])[n:19][c:20](-[c:24]3[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[n:21][c:22]2[CH3:23])[cH:13][cH:14]1)=[O:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[O:3]=[C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:38])[cH:11][c:12]([O:15][CH2:16][c:17]2[c:18]([CH2:34][CH2:35][O:36][CH3:37])[n:19][c:20](-[c:24]3[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[n:21][c:22]2[CH3:23])[cH:13][cH:14]1)[OH:39]