HRID1078296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)CNc1nc(N2CCCC2)cc(N2CCNCC2)n1

HCID19429145

未命名化合物

结构：C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)COS(=O)(=O)c1ccc(Br)cc1

HCID57282319

未命名化合物

PRODUCTS

生成物

结构：C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(NCC(C)(C)C)n2)CC1

HCID67796337

未命名化合物

收率 74.1%

PROCEDURE

实验过程

16α-Methyl-21-(4-bromobenzenesulfonyloxy)-pregna-1,4,9(11)-triene-3,20-dione is reacted with 2-(2,2-dimethylpropylamino)-4-(1-piperazinyl)-6-pyrrolidinopyrimidine as described in Example 13 to obtain the title compound in a yield of 74.1%, m.p.:130° C.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b2ba5e8354c4a84bd7237d3a4b391ce
来源数据集: uspto-grants-1996_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05547949
来源说明: uspto-grants-1996_08

反应 SMILES

[CH3:1][C@@H:2]1[CH2:32][C@@H:31]2[C@:18]([CH3:35])([CH2:19][CH:20]=[C:21]3[C@H:30]2[CH2:29][CH2:28][C:27]2[C@:22]3([CH3:34])[CH:23]=[CH:24][C:25](=[O:33])[CH:26]=2)[C@H:3]1[C:4](=[O:17])[CH2:5]OS(C1C=CC(Br)=CC=1)(=O)=O.[CH3:36][C:37]([CH3:58])([CH3:57])[CH2:38][NH:39][C:40]1[N:45]=[C:44]([N:46]2[CH2:51][CH2:50][NH:49][CH2:48][CH2:47]2)[CH:43]=[C:42]([N:52]2[CH2:56][CH2:55][CH2:54][CH2:53]2)[N:41]=1>>[CH3:36][C:37]([CH3:58])([CH3:57])[CH2:38][NH:39][C:40]1[N:45]=[C:44]([N:46]2[CH2:51][CH2:50][N:49]([CH2:5][C:4](=[O:17])[C@@H:3]3[C@:18]4([CH3:35])[C@H:31]([C@H:30]5[C:21](=[CH:20][CH2:19]4)[C@:22]4([CH3:34])[C:27](=[CH:26][C:25](=[O:33])[CH:24]=[CH:23]4)[CH2:28][CH2:29]5)[CH2:32][C@H:2]3[CH3:1])[CH2:48][CH2:47]2)[CH:43]=[C:42]([N:52]2[CH2:56][CH2:55][CH2:54][CH2:53]2)[N:41]=1