HRID86837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6342

Acetonitrile

C2H3N

HCID31275

1,4-Dioxane

C4H8O2

HCID53415197

N-(5-Bromopyrazin-2-yl)-2,6-difluorobenzamide

C11H6BrF2N3O

结构：Cc1cc2c(cc1B1OC(C)(C)C(C)(C)O1)OC(F)(F)O2

HCID58487235

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)O2

HCID58487084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3c5403b77a345b7898352d972db029d
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

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