HRID1145765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID24776791

未命名化合物

结构：CC1(C)OB(c2cccnc2Oc2ccc(N)cc2)OC1(C)C

HCID57416444

4-{[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}aniline

C17H21BN2O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1ccc2c(-c3cccnc3Oc3ccc(N)cc3)ccnc21

HCID57756226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec13cd7810554b43b433bb081bac28fd
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:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:18][C:19]1([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24][B:25]([c:26]2[c:27]([O:32][c:33]3[cH:34][cH:35][c:36]([NH2:39])[cH:37][cH:38]3)[n:28][cH:29][cH:30][cH:31]2)[O:40]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:9][cH:10]2.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[OH2:62].[Pd+2:57]>>[c:2]1(-[c:26]2[c:27]([O:32][c:33]3[cH:34][cH:35][c:36]([NH2:39])[cH:37][cH:38]3)[n:28][cH:29][cH:30][cH:31]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:9][cH:10]2