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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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1,2-Dichloroethane → 5-chloro-1-(3-chlorobenzyl)-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid {2-[3-(4-cyanobenzyl)-3H-imidazol-4-yl]ethyl}-amide

HRID 365473
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HRID 365473 반응식
[Cl:1][C:2]1[CH:3]=[C:4]([C:17]([OH:19])=O)[C:5](=[O:16])[N:6]([CH2:8][C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([Cl:15])[CH:10]=2)[CH:7]=1.C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1.[C:34]([C:36]1[CH:50]=[CH:49][C:39]([CH2:40][NH:41][CH2:42][CH2:43][C:44]2[N:48]=CNC=2)=[CH:38][CH:37]=1)#[N:35].[CH3:51][N:52]1CCOC[CH2:53]1>CN(C=O)C>[C:34]([C:36]1[CH:37]=[CH:38][C:39]([CH2:40][N:41]2[C:42]([CH2:43][CH2:44][NH:48][C:17]([C:4]3[C:5](=[O:16])[N:6]([CH2:8][C:9]4[CH:14]=[CH:13][CH:12]=[C:11]([Cl:15])[CH:10]=4)[CH:7]=[C:2]([Cl:1])[CH:3]=3)=[O:19])=[CH:53][N:52]=[CH:51]2)=[CH:49][CH:50]=1)#[N:35]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 111,2-DichloroethaneHCID 79724-MethylmorpholineHCID 757711-HydroxybenzotriazoleHCID 37808715-Chloro-1-(3-chlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acidHCID 178509848HCID 178509848, 화합물

생성물 1

HCID 54312008
5-chloro-1-(3-chlorobenzyl)-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid {2-[3-(4-cyanobenzyl)-3H-imidazol-4-yl]ethyl}-amide

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

5-Chloro-1-(3-chlorobenzyl)-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid (0.10 g, 0.335 mmol) was dissolved in DMF (10 mL) and treated with EDC (0.077 g, 0.402 mmol), HOBT (0.054 g, 0.402 mmol), 4-cyanobenzyl histamine (0.079 g, 0.352 mmol) and NMM (0.11 mL, 1.00 mmol) and stirred at ambient temperature for 18 hr. The reaction mixture was concentrated to remove the DMF, then partitioned between EtOAc and aq saturated NaHCO3 solution, the organic layer separated, washed with brine and dried (MgSO4). The title compound was obtained upon purification by RP HPLC on a PrepPak column eluting with an acetonitrile/H2O/TFA gradient followed by neutralization with NaHCO3 and extraction.

후처리

  1. concentrationThe reaction mixture was concentrated
  2. customto remove the DMF
  3. custompartitioned between EtOAc and aq saturated NaHCO3 solution
  4. customthe organic layer separated
  5. washwashed with brine
  6. dry with materialdried (MgSO4)

출처 및 근거

ORD 기록
ord-edb5ca1800d34bb0b19648c103b68fd9
출처 데이터셋
uspto-grants-2000_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06127390

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