HRID1262217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9125291

未命名化合物

结构：CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3cnc(O)nn23)c1

HCID178449976

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3cnc(Nc4ccc5c(c4)N(S(C)(=O)=O)CCC5)nn23)c1

HCID46851710

未命名化合物

PROCEDURE

实验过程

N-tert-Butyl-3-[2-(1-methanesulfonyl-1,2,3,4-tetrahydro-quinolin-7-ylamino)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-benzenesulfonamide was prepared from N-tert-butyl-3-(2-hydroxy-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-benzenesulfonamide and 1-methanesulfonyl-1,2,3,4-tetrahydro-quinolin-7-ylamine in an analogous manner to Example 1052a. Product isolated as a yellow solid (69 mg, 57%). m.p.=187-191° C.; LCMS (m/e) 555 (M+H); 1H-NMR (d6-DMSO, 400 MHz) δ 9.50 (s, 1H), 9.04 (s, 1H), 8.51-8.42 (m, 2H), 7.82 (d, 1H, J=7.9 Hz), 7.76-7.65 (m, 3H), 7.62 (s, 1H), 7.20 (d, 1H, J=4.8 Hz), 7.16 (d, 1H, J=8.3 Hz), 6.99 (d, 1H, J=4.8 Hz), 3.73-3.67 (m, 2H), 3.00 (s, 3H), 2.78-2.71 (m, 2H), 1.97-1.87 (m, 2H), 1.11 (s, 9H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edc14252e96a4711b24da93bb33d098e
来源数据集: uspto-grants-2013_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08471005B2
来源说明: uspto-grants-2013_06

反应 SMILES

[C:1]([NH:5][S:6]([C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([C:15]2[N:23]3[C:18]([CH:19]=[N:20][C:21](O)=[N:22]3)=[CH:17][CH:16]=2)[CH:10]=1)(=[O:8])=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:25][S:26]([N:29]1[C:38]2[C:33](=[CH:34][CH:35]=[C:36]([NH2:39])[CH:37]=2)[CH2:32][CH2:31][CH2:30]1)(=[O:28])=[O:27]>>[C:1]([NH:5][S:6]([C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([C:15]2[N:23]3[C:18]([CH:19]=[N:20][C:21]([NH:39][C:36]4[CH:37]=[C:38]5[C:33]([CH2:32][CH2:31][CH2:30][N:29]5[S:26]([CH3:25])(=[O:28])=[O:27])=[CH:34][CH:35]=4)=[N:22]3)=[CH:17][CH:16]=2)[CH:10]=1)(=[O:8])=[O:7])([CH3:4])([CH3:3])[CH3:2]