HRID511259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID86633861

未命名化合物

HCID86653997

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3C(=O)NC)n2)c(OC)c1)OCC

HCID49821766

未命名化合物

PROCEDURE

实验过程

Prepared according to the procedure described for Example 48 using (2-{[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino}-N-methylbenzamide and diethyl (4-amino-3-methoxybenzyl)phosphonate. 1H NMR (CD3OD, 400 MHz): δ=1.27 (t, J=7.07 Hz, 6H), 2.90 (s, 3 H), 3.20-3.28 (m, 2 H), 3.91 (s, 3 H), 4.01-4.11 (m, 4 H), 6.80 (dt, J=8.21, 2.21 Hz, 1 H), 6.99 (t, J=2.15 Hz, 1 H), 7.19 (td, J=7.58, 1.26 Hz, 1 H), 7.48 (ddd, J=8.46, 7.20, 1.52 Hz, 1 H), 7.64 (dd, J=7.83, 1.52 Hz, 1 H), 7.96 (d, J=8.08 Hz, 1 H), 8.30-8.36 (m, 2H). MS (ES+): m/z 568.1542 [MH+] (TOF, polar).

WORKUP

后处理

customPrepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ed4a2f413fa46158088cb255f667e42
来源数据集: uspto-grants-2015_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09096624B2
来源说明: uspto-grants-2015_08

反应 SMILES

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