HRID2122423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID559036

Ethyl 3-oxoheptanoate

C9H16O3

结构：CCCCc1nc(-c2ccc(C(F)(F)F)cc2)ncc1CC(=O)O

HCID21935713

未命名化合物

HCID67072118

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(-c2ccc(C(F)(F)F)cc2)ncc1CC(=O)N(C)c1cccc(OC(C)(C)C(=O)OCC)c1

HCID67072397

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-935e649853e042cb9157ef6def234014
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

[CH2:18]([CH2:19][CH2:20][CH3:21])[c:22]1[n:23][c:24](-[c:32]2[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]2)[n:25][cH:26][c:27]1[CH2:28][C:29](=[O:30])[OH:31].[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([O:7][c:8]1[cH:9][c:10]([NH:14][CH3:15])[cH:11][cH:12][cH:13]1)[CH3:16])=[O:17].[CH2:42]([O:43][C:44](=[O:45])[CH2:46][C:47](=[O:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH3:53]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([O:7][c:8]1[cH:9][c:10]([N:14]([CH3:15])[C:29]([CH2:28][c:27]2[c:22]([CH2:18][CH2:19][CH2:20][CH3:21])[n:23][c:24](-[c:32]3[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]3)[n:25][cH:26]2)=[O:30])[cH:11][cH:12][cH:13]1)[CH3:16])=[O:17]