HRID1535816

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

结构：CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

HCID46739020

tert-Butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate

C19H31BN4O4

HCID59603072

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

C10H9BrFN3OS

PRODUCTS

生成物

结构：CCNC(=O)Nc1nc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c(F)cc2s1

HCID59603081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-614898655cad44acba90e704fd604d37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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.[CH3:18][C:19]1([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24][B:25]([c:26]2[cH:27][n:28][c:29]([N:32]3[CH2:33][CH2:34][N:35]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:36][CH2:37]3)[n:30][cH:31]2)[O:45]1.[K+:51].[K+:52].[K+:53].[OH2:54].[P:46]([O-:47])([O-:48])([O-:49])=[O:50]>>[c:2]1(-[c:26]2[cH:27][n:28][c:29]([N:32]3[CH2:33][CH2:34][N:35]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:36][CH2:37]3)[n:30][cH:31]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