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Sodium Ion → 2-[4-[N-(tert-butoxycarbonyl)-N-methoxymethylamino]-3-fluorophenyl]-6,8-difluoro-5-(4-methyl-3-pentenylamino)-4H-1-benzopyran-4-one

HRID 96641
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인쇄 미리보기

반응식

HRID 96641 반응식
[Br:35][CH2:36][CH2:37][CH:38]=[C:39]([CH3:40])[CH3:41].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[H-:33].[NH2:1][c:2]1[c:3]([F:32])[cH:4][c:5]([F:31])[c:6]2[c:7]1[c:8](=[O:30])[cH:9][c:10](-[c:12]1[cH:13][c:14]([F:29])[c:15]([N:18]([CH2:19][O:20][CH3:21])[C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:16][cH:17]1)[o:11]2.[Na+:34].[OH2:42]>>[NH:1]([c:2]1[c:3]([F:32])[cH:4][c:5]([F:31])[c:6]2[c:7]1[c:8](=[O:30])[cH:9][c:10](-[c:12]1[cH:13][c:14]([F:29])[c:15]([N:18]([CH2:19][O:20][CH3:21])[C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:16][cH:17]1)[o:11]2)[CH2:36][CH2:37][CH:38]=[C:39]([CH3:40])[CH3:41]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 1375215-Bromo-2-methyl-2-penteneHCID 166653HydrideHCID 194347945-amino-2-[4-[N-(tert-butoxycarbonyl)-N-methoxymethylamino]-3-fluorophenyl)-6,8-difluoro-4H-1-benzopyran-4-one

생성물 1

HCID 19434822
2-[4-[N-(tert-butoxycarbonyl)-N-methoxymethylamino]-3-fluorophenyl]-6,8-difluoro-5-(4-methyl-3-pentenylamino)-4H-1-benzopyran-4-one

출처 및 근거

ORD 기록
ord-8e0bba3fbec743d780f9a7976ad0b0eb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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