HRID2037279

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(C(=O)Nc2nccs2)cc1B1OC(C)(C)C(C)(C)O1

HCID21914517

未命名化合物

2 次

结构：CN1CCN(Cc2ccccc2NC(=O)c2ccc(Cl)nc2)CC1

HCID21914574

未命名化合物

2 次

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2nccs2)cc1-c1ccc(C(=O)Nc2ccccc2CN2CCN(C)CC2)cn1

HCID21914560

未命名化合物

PROCEDURE

实验过程

N-[2-(4-Methylpiperazin-1-ylmethyl)phenyl]-6-[2-methyl-5-(thiazol-2-ylcarbamoyl)-phenyl]-nicotinamide was prepared from 6-chloro-N-[2-(4-methylpiperazin-1-ylmethyl)phenyl]nicotinamide (Intermediate 5) and 4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-N-(thiazol-2-yl)-benzamide (Intermediate 11) using General Method B. LCMS: retention time 2.53 min, MH+ 527. NMR: δH [2H6]-DMSO 12.73, (1H, b), 11.70, (1H, b), 9.26, (1H, d), 8.43, (1H, dd), 8.33, (1H, d), 8.25, (1H, s), 8.10, (1H, d), 7.93, (1H, d), 7.58, (1H, d), 7.54, (1H, d), 7.36, (1H, t), 7.30, (2H, m), 7.12, (1H, t), 3.78, (2H, s), 2.67-2.25, (11H, b), 2.14, (3H, s).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38fd9a5aa6544b159099aa367466b607
来源数据集: uspto-grants-2013_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08575204B2
来源说明: uspto-grants-2013_11

反应 SMILES

Cl[C:2]1[CH:24]=[CH:23][C:5]([C:6]([NH:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2[CH2:15][N:16]2[CH2:21][CH2:20][N:19]([CH3:22])[CH2:18][CH2:17]2)=[O:7])=[CH:4][N:3]=1.[CH3:25][C:26]1[CH:39]=[CH:38][C:29]([C:30]([NH:32][C:33]2[S:34][CH:35]=[CH:36][N:37]=2)=[O:31])=[CH:28][C:27]=1B1OC(C)(C)C(C)(C)O1>>[CH3:22][N:19]1[CH2:20][CH2:21][N:16]([CH2:15][C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=2[NH:8][C:6](=[O:7])[C:5]2[CH:23]=[CH:24][C:2]([C:27]3[CH:28]=[C:29]([C:30](=[O:31])[NH:32][C:33]4[S:34][CH:35]=[CH:36][N:37]=4)[CH:38]=[CH:39][C:26]=3[CH3:25])=[N:3][CH:4]=2)[CH2:17][CH2:18]1