HRID2162288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31374

Dimethylacetamide

C4H9NO

HCID68720575

未命名化合物

结构：O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(B(O)O)cn1

HCID68720777

未命名化合物

PRODUCTS

生成物

结构：O=C(O)COC1(c2ccc(-c3ccc(NC(=O)Cc4cccc(C(F)(F)F)c4)nc3)cc2F)CCC1

HCID25106327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9dd8f58ea22434087d55ee422002c19
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

[Br:24][c:25]1[cH:26][c:27]([F:40])[c:28]([C:31]2([O:35][CH2:36][C:37](=[O:38])[OH:39])[CH2:32][CH2:33][CH2:34]2)[cH:29][cH:30]1.[CH3:49][N:50]([CH3:51])[C:52](=[O:53])[CH3:54].[CH3:56][CH2:57][OH:58].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:9][C:10](=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([B:19]([OH:20])[OH:21])[cH:17][n:18]2)[cH:6][cH:7][cH:8]1)([F:22])[F:23].[K+:46].[K+:47].[K+:48].[OH2:55].[P:41]([O-:42])([O-:43])([O-:44])=[O:45]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:9][C:10](=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16](-[c:25]3[cH:26][c:27]([F:40])[c:28]([C:31]4([O:35][CH2:36][C:37](=[O:38])[OH:39])[CH2:32][CH2:33][CH2:34]4)[cH:29][cH:30]3)[cH:17][n:18]2)[cH:6][cH:7][cH:8]1)([F:22])[F:23]