HRID1127772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

结构：CC1(C)OB(c2ccc(NC(=O)c3c(F)cccc3F)cc2)OC1(C)C

HCID53414211

2,6-Difluoro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide

C19H20BF2NO3

HCID59014058

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c(C)s1

HCID24876709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d42c3cde01b4dab8c680191603d8503
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:38](=[O:39])([OH:40])[O-:41].[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([CH3:11])[c:8]([I:10])[cH:9]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH3:58][CH2:59][OH:60].[F:12][c:13]1[c:14]([C:15](=[O:16])[NH:17][c:18]2[cH:19][cH:20][c:21]([B:24]3[O:25][C:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32]3)[cH:22][cH:23]2)[c:33]([F:37])[cH:34][cH:35][cH:36]1.[Na+:42].[OH2:43].[Pd:44]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([CH3:11])[c:8](-[c:21]2[cH:20][cH:19][c:18]([NH:17][C:15]([c:14]3[c:13]([F:12])[cH:36][cH:35][cH:34][c:33]3[F:37])=[O:16])[cH:23][cH:22]2)[cH:9]1