HRID1093282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1176

Urea

CH4N2O

HCID6115

Aniline

C6H7N

HCID21873395

未命名化合物

结构：CCNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCN(C(=O)OCC)CC4)c3n2)cc1

HCID25262323

未命名化合物

PRODUCTS

生成物

结构：CCn1ncc2c(N3C4CCC3COC4)nc(-c3ccc(NC(=O)Nc4ccc(N(C)CCN(C)C)cc4)cc3)nc21

HCID57424687

未命名化合物

PROCEDURE

实验过程

A urea formation procedure similar to that used for the synthesis of ethyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(4-(3-ethylureido)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate is used, utilizing N1-(2-(dimethylamino)ethyl)-N1-methylbenzene-1,4-diamine as the aniline component. (40%, MS=570.5 (M+H))

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2632c849d5b432b85d1a902b2a990cf
来源数据集: uspto-grants-2012_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08129371B2
来源说明: uspto-grants-2012_03

反应 SMILES

NC(N)=O.[CH:5]12[O:12][CH:9](CC1)[CH2:8][N:7]([C:13]1[N:18]=[C:17]([C:19]3[CH:24]=[CH:23][C:22]([NH:25][C:26](NCC)=[O:27])=[CH:21][CH:20]=3)[N:16]=[C:15]3[N:31]([CH:34]4CCN(C(OCC)=O)C[CH2:35]4)[N:32]=[CH:33][C:14]=13)[CH2:6]2.[CH3:45][N:46]([CH3:58])[CH2:47][CH2:48][N:49]([CH3:57])[C:50]1[CH:55]=[CH:54][C:53]([NH2:56])=[CH:52][CH:51]=1.N[C:60]1C=CC=C[CH:61]=1>>[CH:8]12[N:7]([C:13]3[N:18]=[C:17]([C:19]4[CH:20]=[CH:21][C:22]([NH:25][C:26]([NH:56][C:53]5[CH:54]=[CH:55][C:50]([N:49]([CH2:48][CH2:47][N:46]([CH3:58])[CH3:45])[CH3:57])=[CH:51][CH:52]=5)=[O:27])=[CH:23][CH:24]=4)[N:16]=[C:15]4[N:31]([CH2:34][CH3:35])[N:32]=[CH:33][C:14]=34)[CH:6]([CH2:60][CH2:61]1)[CH2:5][O:12][CH2:9]2