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Water → 4,4-Difluoro-5-(2-fluoropyridin-3-yl)-3,4-dihydro-2H-pyrrol-3-yl 4-methylbenzenesulfonate

HRID 109733
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반응식

HRID 109733 반응식
[CH2:14]([Li:15])[CH2:16][CH2:17][CH3:18].[CH3:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[F:19][c:20]1[n:21][cH:22][cH:23][cH:24][cH:25]1.[F:26][C:27]1([F:51])[C:28](=[O:50])[N:29]([C:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])[CH2:30][CH:31]1[O:32][S:33](=[O:34])(=[O:35])[c:36]1[cH:37][cH:38][c:39]([CH3:42])[cH:40][cH:41]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:57]>>[F:19][c:20]1[n:21][cH:22][cH:23][cH:24][c:25]1[C:28]1=[N:29][CH2:30][CH:31]([O:32][S:33](=[O:34])(=[O:35])[c:36]2[cH:37][cH:38][c:39]([CH3:42])[cH:40][cH:41]2)[C:27]1([F:26])[F:51]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 962WaterHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 97462-FluoropyridineHCID 58349825tert-Butyl 3,3-difluoro-4-{[(4-methylphenyl)sulfonyl]oxy}-2-oxopyrrolidine-1-carboxylateHCID 178418339Butyllithium

생성물 1

HCID 583498384,4-Difluoro-5-(2-fluoropyridin-3-yl)-3,4-dihydro-2H-pyrrol-3-yl 4-methylbenzenesulfonate

출처 및 근거

ORD 기록
ord-03f750dcb62844c595bb24f8506c390f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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