HRID2154988

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)C(C)(C)Oc1ccc(OCc2c(COC)nc(-c3ccc(C(F)(F)F)cc3)nc2C2CC2)cc1C

HCID67072251

未命名化合物

PRODUCTS

生成物

结构：COCc1nc(-c2ccc(C(F)(F)F)cc2)nc(C2CC2)c1COc1ccc(OC(C)(C)C(=O)O)c(C)c1

HCID21935682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ead83b8c139a43f0a65b3d5dfd838e95
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

[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:39])[cH:11][c:12]([O:15][CH2:16][c:17]2[c:18]([CH:36]3[CH2:37][CH2:38]3)[n:19][c:20](-[c:26]3[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]3)[n:21][c:22]2[CH2:23][O:24][CH3:25])[cH:13][cH:14]1)=[O:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[O:3]=[C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:39])[cH:11][c:12]([O:15][CH2:16][c:17]2[c:18]([CH:36]3[CH2:37][CH2:38]3)[n:19][c:20](-[c:26]3[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]3)[n:21][c:22]2[CH2:23][O:24][CH3:25])[cH:13][cH:14]1)[OH:40]