HRID2149960

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)N1CCOC(c2ccc(NC(=O)c3cnn(-c4cccc(OC(F)F)c4)c3)c(F)c2)C1

HCID71086888

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(Nc1ccc(C2CNCCO2)cc1F)c1cnn(-c2cccc(OC(F)F)c2)c1

HCID71086937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b40713d2170440db5352004d9aee35b
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

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