HRID286617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

结构：CCOC(=O)c1cnn(-c2cccc(-c3ccccc3OCc3ccc(C4CCC5(CC4)OCCO5)cc3)n2)c1C(F)(F)F

HCID67159196

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cnn(-c2cccc(-c3ccccc3OCc3ccc(C4CCC(=O)CC4)cc3)n2)c1C(F)(F)F

HCID67159542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43eff9cbd87744fb80f4d09a43106739
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

[CH3:45][C:46](=[O:47])[OH:48].[O:1]1[CH2:3][CH2:2][O:4][C:5]12[CH2:6][CH2:7][CH:8]([c:11]1[cH:12][cH:13][c:14]([CH2:15][O:16][c:17]3[c:18](-[c:23]4[cH:24][cH:25][cH:26][c:27](-[n:29]5[n:30][cH:31][c:32]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[c:33]5[C:34]([F:35])([F:36])[F:37])[n:28]4)[cH:19][cH:20][cH:21][cH:22]3)[cH:43][cH:44]1)[CH2:9][CH2:10]2.[OH2:49]>>[O:4]=[C:5]1[CH2:6][CH2:7][CH:8]([c:11]2[cH:12][cH:13][c:14]([CH2:15][O:16][c:17]3[c:18](-[c:23]4[cH:24][cH:25][cH:26][c:27](-[n:29]5[n:30][cH:31][c:32]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[c:33]5[C:34]([F:35])([F:36])[F:37])[n:28]4)[cH:19][cH:20][cH:21][cH:22]3)[cH:43][cH:44]2)[CH2:9][CH2:10]1