HRID946370

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

HCID59603072

N-(5-Bromo-6-fluoro-2-benzothiazolyl)-N′-ethylurea

C10H9BrFN3OS

结构：CC(C)(C)OC(=O)N1CCC(n2ccc(B3OC(C)(C)C(C)(C)O3)cc2=O)C1

HCID59603106

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1nc2cc(-c3ccn(C4CCN(C(=O)OC(C)(C)C)C4)c(=O)c3)c(F)cc2s1

HCID59603078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d49c86f97dc5421d8f6a1795345da21d
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

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