HRID85897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

结构：CC(OC1OCC(COC(=O)c2ccc([N+](=O)[O-])cc2)C(COCc2ccccc2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID178467539

未命名化合物

PRODUCTS

生成物

结构：CC(OC1OCC(CO)C(COCc2ccccc2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID178467538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b433612e1e342fbbd02cec10dc27546
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:55]([OH:56])[CH3:57].[CH3:58][OH:59].[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[N+:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:10][CH2:11][CH:12]2[CH2:13][O:14][CH:15]([O:34][CH:35]([CH3:36])[c:37]3[cH:38][c:39]([C:47]([F:48])([F:49])[F:50])[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]3)[CH:16]([c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[CH:17]2[CH2:18][O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:8][cH:9]1)([O-:51])=[O:52].[Na+:54].[OH-:53]>>[OH:10][CH2:11][CH:12]1[CH2:13][O:14][CH:15]([O:34][CH:35]([CH3:36])[c:37]2[cH:38][c:39]([C:47]([F:48])([F:49])[F:50])[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]2)[CH:16]([c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[CH:17]1[CH2:18][O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1