HRID304876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

结构：CCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1CNc1ncc(OCCCC(=O)OC(C)(C)C)cn1

HCID86626851

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1CNc1ncc(OCCCC(=O)O)cn1

HCID57556048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d3c7d0ae85e4a7fa443aded16ee51ba
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

[C:48](=[O:49])([OH:50])[O-:51].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[c:9]([CH2:10][NH:11][c:12]3[n:13][cH:14][c:15]([O:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:16][n:17]3)[cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[CH2:37][CH3:38])[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)([F:46])[F:47].[Na+:52].[O:66]1[CH2:67][CH2:68][O:69][CH2:70][CH2:71]1.[OH:53][C:54]([CH2:55][C:56]([C:57](=[O:58])[OH:59])([CH2:60][C:61](=[O:62])[OH:63])[OH:64])=[O:65]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[c:9]([CH2:10][NH:11][c:12]3[n:13][cH:14][c:15]([O:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[OH:24])[cH:16][n:17]3)[cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[CH2:37][CH3:38])[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)([F:46])[F:47]