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Bromide ion → 7-(difluoromethoxy)-1-(1,3-dioxolan-2-ylmethyl)-1,5-naphthyridin-2(1H)-one

HRID 201721
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반응식

HRID 201721 반응식
[Br-:37].[CH3:21][N:22]([CH3:23])[CH:24]=[O:25].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:38][CH2:39][CH2:40][CH2:41][N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54].[Cl:26][CH:27]([F:28])[F:29].[Na+:20].[O:1]1[CH:2]([CH2:6][n:7]2[c:8](=[O:18])[cH:9][cH:10][c:11]3[n:12][cH:13][c:14]([OH:17])[cH:15][c:16]23)[O:3][CH2:4][CH2:5]1.[OH-:19].[OH2:55]>>[O:1]1[CH:2]([CH2:6][n:7]2[c:8](=[O:18])[cH:9][cH:10][c:11]3[n:12][cH:13][c:14]([O:17][CH:27]([F:28])[F:29])[cH:15][c:16]23)[O:3][CH2:4][CH2:5]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 259Bromide ionHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 6228DimethylformamideHCID 6372ChlorodifluoromethaneHCID 16028Tetrabutylammonium
HCID 57815380
1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-1,5-naphthyridin-2(1H)-one

생성물 1

HCID 578154437-(difluoromethoxy)-1-(1,3-dioxolan-2-ylmethyl)-1,5-naphthyridin-2(1H)-one

출처 및 근거

ORD 기록
ord-d057943e1a274b5f9bb53a6b6997b734
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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