HRID2333999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6422

未命名化合物

结构：O=C(O)C1CC2(c3ccccc3)C(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC1N2Cc1ccccc1

HCID87949838

未命名化合物

PRODUCTS

生成物

HCID6422

未命名化合物

结构：O=C(O)C1CC2(c3ccccc3)NC1CCC2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID87949642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-760940bb65884d7887f2ec01f926edaf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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