HRID446321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16109009

未命名化合物

HCID86602595

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)Nc2cc(C(F)(F)F)ccc2N(C)CCCN(C)C)ccc1Oc1ncccc1-c1ccncn1

HCID58396469

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1140

Toluene

C7H8

PROCEDURE

实验过程

To 4-(2-(4-isocyanato-2-methylphenoxy)pyridin-3-yl)pyrimidine (93 mg, 0.33 mmol) in toluene (3 mL) was added N1-(3-(dimethylamino)propyl)-N1-methyl-4-(trifluoromethyl)benzene-1,2-diamine (82 mg, 0.30 mmol). The mixture was stirred for 2.5 days at RT, then concentrated and purified by semi-preparative HPLC (Gilson, acidic mobile phase) to yield the title compound as an off-white solid. MS m/z=580 [M+H]+. Calc'd for C30H32F3N7O2: 579.63.

WORKUP

后处理

concentrationconcentrated
custompurified by semi-preparative HPLC (Gilson, acidic mobile phase)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8642969e79f54120aaaffd281098bf9e
来源数据集: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08476434B2
来源说明: uspto-grants-2013_07

反应 SMILES

[N:1]([C:4]1[CH:22]=[CH:21][C:7]([O:8][C:9]2[C:14]([C:15]3[CH:20]=[CH:19][N:18]=[CH:17][N:16]=3)=[CH:13][CH:12]=[CH:11][N:10]=2)=[C:6]([CH3:23])[CH:5]=1)=[C:2]=[O:3].[CH3:24][N:25]([CH3:42])[CH2:26][CH2:27][CH2:28][N:29]([CH3:41])[C:30]1[C:31]([NH2:40])=[CH:32][C:33]([C:36]([F:39])([F:38])[F:37])=[CH:34][CH:35]=1>C1(C)C=CC=CC=1>[CH3:42][N:25]([CH3:24])[CH2:26][CH2:27][CH2:28][N:29]([CH3:41])[C:30]1[CH:35]=[CH:34][C:33]([C:36]([F:39])([F:37])[F:38])=[CH:32][C:31]=1[NH:40][C:2]([NH:1][C:4]1[CH:22]=[CH:21][C:7]([O:8][C:9]2[C:14]([C:15]3[CH:20]=[CH:19][N:18]=[CH:17][N:16]=3)=[CH:13][CH:12]=[CH:11][N:10]=2)=[C:6]([CH3:23])[CH:5]=1)=[O:3]