HRID518713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15649174

4-Methylpiperidin-4-ol

C6H13NO

结构：CC(C)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccc(F)cc3)[nH]c3ccc(CN4CCN(S(C)(=O)=O)CC4)cc32)CC1

HCID178457797

未命名化合物

结构：CC(C)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccc(F)cc3)[nH]c3ccc(CO)cc32)CC1

HCID178457799

未命名化合物

PRODUCTS

生成物

结构：CC(C)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccc(F)cc3)[nH]c3ccc(CN4CCC(C)(O)CC4)cc32)CC1

HCID178457793

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from (E)-4-fluoro-N-(6-(hydroxymethyl)-1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-1H-benzo[d]imidazol-2(3H)-ylidene)benzamide and 4-methylpiperidin-4-ol using a method analogous to that used in the preparation of (E)-4-fluoro-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-1H-benzo[d]imidazol-2(3H)-ylidene)benzamide. The title compound was isolated as a white powder (37 mg, 30% yield). MS, m/z (C31H40FN5O3): calcd, 549.3. found, 549.9 [M+H]

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1eea40b82b24828b7e2d697fdb5ac90
来源数据集: uspto-grants-2015_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09115127B2
来源说明: uspto-grants-2015_08

反应 SMILES

[F:1][C:2]1[CH:33]=[CH:32][C:5]([C:6](/[N:8]=[C:9]2\[NH:10][C:11]3[CH:29]=[CH:28][C:27]([CH2:30]O)=[CH:26][C:12]=3[N:13]\2[C@H:14]2[CH2:19][CH2:18][C@@H:17]([C:20](=[O:25])[NH:21][CH:22]([CH3:24])[CH3:23])[CH2:16][CH2:15]2)=[O:7])=[CH:4][CH:3]=1.[CH3:34][C:35]1([OH:41])[CH2:40][CH2:39][NH:38][CH2:37][CH2:36]1.FC1C=CC(C(/N=C2\NC3C=CC(CN4CCN(S(C)(=O)=O)CC4)=CC=3N\2[C@H]2CC[C@@H](C(=O)NC(C)C)CC2)=O)=CC=1>>[F:1][C:2]1[CH:33]=[CH:32][C:5]([C:6](/[N:8]=[C:9]2\[NH:10][C:11]3[CH:29]=[CH:28][C:27]([CH2:30][N:38]4[CH2:39][CH2:40][C:35]([OH:41])([CH3:34])[CH2:36][CH2:37]4)=[CH:26][C:12]=3[N:13]\2[C@H:14]2[CH2:15][CH2:16][C@@H:17]([C:20](=[O:25])[NH:21][CH:22]([CH3:23])[CH3:24])[CH2:18][CH2:19]2)=[O:7])=[CH:4][CH:3]=1