HRID702181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID53503

p-Boronophenylalanine

C9H12BNO4

结构：Nc1nc(Cl)cc(OC(c2ccccc2C(F)(F)F)C(F)(F)F)n1

HCID86614293

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(OC(c2ccccc2C(F)(F)F)C(F)(F)F)cc(-c2ccc(CC(N)C(=O)O)cc2)n1

HCID74073698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b299b87e806549e392459f95b3d2b6f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[B:25]([OH:26])([OH:27])[c:28]1[cH:29][cH:30][c:31]([CH2:32][CH:33]([NH2:34])[C:35](=[O:36])[OH:37])[cH:38][cH:39]1.[CH3:40][C:41]#[N:42].[Cl:1][c:2]1[n:3][c:4]([NH2:24])[n:5][c:6]([O:8][CH:9]([C:10]([F:11])([F:12])[F:13])[c:14]2[c:15]([C:20]([F:21])([F:22])[F:23])[cH:16][cH:17][cH:18][cH:19]2)[cH:7]1.[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[OH2:49]>>[c:2]1(-[c:28]2[cH:29][cH:30][c:31]([CH2:32][CH:33]([NH2:34])[C:35](=[O:36])[OH:37])[cH:38][cH:39]2)[n:3][c:4]([NH2:24])[n:5][c:6]([O:8][CH:9]([C:10]([F:11])([F:12])[F:13])[c:14]2[c:15]([C:20]([F:21])([F:22])[F:23])[cH:16][cH:17][cH:18][cH:19]2)[cH:7]1