HRID936523

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：Cc1ccc(C(Oc2cc(Cl)nc(N)n2)C(F)(F)F)cc1

HCID86614294

4-Chloro-6-[2,2,2-trifluoro-1-(4-methylphenyl)ethoxy]-2-pyrimidinamine

C13H11ClF3N3O

PRODUCTS

生成物

结构：Cc1ccc(C(Oc2cc(-c3ccc(CC(N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)cc1

HCID66649400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7affbf1376d44d20b1525de79b1b5ef6
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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