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Acetic Acid → 3-(5-Chloro-3-fluoropyridin-2-yl)-2-methyl-3-oxopropionic acid tert-butyl ester

HRID 1545474
노트
인쇄 미리보기

반응식

HRID 1545474 반응식
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18]([CH2:19][CH3:20])=[O:21].[CH2:22]([O:23][C:25](=[O:26])[c:27]1[n:28][cH:29][c:30]([Cl:34])[cH:31][c:32]1[F:33])[CH3:24].[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[CH3:46][O:47][C:48]([CH3:49])([CH3:50])[CH3:51].[CH3:52][C:53](=[O:54])[OH:55].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:56]>>[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18]([CH:19]([CH3:20])[C:25](=[O:26])[c:27]1[n:28][cH:29][c:30]([Cl:34])[cH:31][c:32]1[F:33])=[O:21]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 176Acetic AcidHCID 962WaterHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 15413tert-Butyl methyl etherHCID 88561tert-Butyl propionateHCID 22013569
Ethyl 5-chloro-3-fluoropicolinate
HCID 178418339Butyllithium

생성물 1

HCID 220135773-(5-Chloro-3-fluoropyridin-2-yl)-2-methyl-3-oxopropionic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-4c8639124b8a4d84a4fed30f684d8aba
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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