HRID150553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID136809

Benzophenone imine

C13H11N

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID4574913

未命名化合物

HCID21914476

tert-Butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate

C13H19BrN4O2

PRODUCTS

生成物

HCID59464319

1,1-Dimethylethyl 4-(5-amino-2-pyrimidinyl)-1-piperazinecarboxylate

C13H21N5O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-299ba6be21524c33b50d0717e950d920
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[n:6][cH:7]1.[C:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)=[NH:40].[C:87](=[O:88])([O-:89])[OH:90].[CH2:105]1[O:106][CH2:107][CH2:108][CH2:109]1.[CH3:21][C:22]([CH3:23])([O-:24])[CH3:25].[CH3:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[CH3:99][CH2:100][O:101][C:102]([CH3:103])=[O:104].[Na+:26].[Na+:91].[cH:41]1[cH:42][cH:43][c:44]([P:45]([c:46]2[cH:47][cH:48][c:49]3[c:50]([cH:51][cH:52][cH:53][cH:54]3)[c:55]2-[c:56]2[c:57]3[c:58]([cH:59][cH:60][cH:61][cH:62]3)[cH:63][cH:64][c:65]2[P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86]1>>[c:2]1([NH2:40])[cH:3][n:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[n:6][cH:7]1