HRID469404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

结构：COc1ccc2c(c1)CCN(C1CCN(c3cc(C(=O)c4cc(C)c5c(cnn5COCC[Si](C)(C)C)c4)ncn3)CC1)C(=O)N2

HCID58181200

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CCN(C1CCN(c3cc(C(=O)c4cc(C)c5[nH]ncc5c4)ncn3)CC1)C(=O)N2

HCID25270475

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

65 mg (0.10 mmol) 7-methoxy-3-(1-{6-[7-methyl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indazole-5-carbonyl]-pyrimidin-4-yl}-piperidin-4-yl)-1,3,4,5-tetrahydro-benzo[d][1,3]diazepin-2-one in 0.4 mL MeOH and 0.6 mL (2.4 mmol) of a 4 molar HCl solution in dioxane was stirred overnight at RT. The mixture was neutralised with 0.4 mL of a 6 molar methanolic ammonia solution, mixed with some water and purified by preparative HPLC-MS. The fractions containing the product were combined and freeze-dried.

WORKUP

后处理

custompurified by preparative HPLC-MS
additionThe fractions containing the product
customfreeze-dried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3281b5d8b31f404e9a65608d79db0e2f
来源数据集: uspto-grants-2014_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08629137B2
来源说明: uspto-grants-2014_01

反应 SMILES

[CH3:1][O:2][C:3]1[CH:46]=[CH:45][C:6]2[NH:7][C:8](=[O:44])[N:9]([CH:12]3[CH2:17][CH2:16][N:15]([C:18]4[CH:23]=[C:22]([C:24]([C:26]5[CH:27]=[C:28]6[C:32](=[C:33]([CH3:35])[CH:34]=5)[N:31](COCC[Si](C)(C)C)[N:30]=[CH:29]6)=[O:25])[N:21]=[CH:20][N:19]=4)[CH2:14][CH2:13]3)[CH2:10][CH2:11][C:5]=2[CH:4]=1.Cl.N.O>CO.O1CCOCC1>[CH3:1][O:2][C:3]1[CH:46]=[CH:45][C:6]2[NH:7][C:8](=[O:44])[N:9]([CH:12]3[CH2:17][CH2:16][N:15]([C:18]4[CH:23]=[C:22]([C:24]([C:26]5[CH:27]=[C:28]6[C:32](=[C:33]([CH3:35])[CH:34]=5)[NH:31][N:30]=[CH:29]6)=[O:25])[N:21]=[CH:20][N:19]=4)[CH2:14][CH2:13]3)[CH2:10][CH2:11][C:5]=2[CH:4]=1