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Ammonium → 2-[4-[N-Acetyl-N-(3-phthalimidopropyl)amino]-3-fluorophenyl]-5-amino-6,8-difluoro-4H-1-benzopyran-4-one

HRID 93525
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HRID 93525 반응식
[Br:28][CH2:29][CH2:30][CH2:31][N:32]1[C:33](=[O:42])[c:34]2[c:35]([cH:38][cH:39][cH:40][cH:41]2)[C:36]1=[O:37].[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([F:25])[cH:7][c:8](-[c:11]2[o:12][c:13]3[c:14]([c:15](=[O:17])[cH:16]2)[c:18]([NH2:24])[c:19]([F:23])[cH:20][c:21]3[F:22])[cH:9][cH:10]1.[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl-:45].[H-:26].[I-:44].[NH4+:46].[Na+:27].[Na+:43]>>[C:1]([CH3:2])(=[O:3])[N:4]([c:5]1[c:6]([F:25])[cH:7][c:8](-[c:11]2[o:12][c:13]3[c:14]([c:15](=[O:17])[cH:16]2)[c:18]([NH2:24])[c:19]([F:23])[cH:20][c:21]3[F:22])[cH:9][cH:10]1)[CH2:29][CH2:30][CH2:31][N:32]1[C:33](=[O:42])[c:34]2[c:35]([cH:38][cH:39][cH:40][cH:41]2)[C:36]1=[O:37]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium Ion2회HCID 6228DimethylformamideHCID 21611N-3-BromopropylphthalimideHCID 30165Iodide IonHCID 166653Hydride
HCID 19434907
2-(4-Acetylamino-3-fluorophenyl)-5-amino-6,8-difluoro-4H-1-benzopyran-4-one

생성물 1

HCID 153469942-[4-[N-Acetyl-N-(3-phthalimidopropyl)amino]-3-fluorophenyl]-5-amino-6,8-difluoro-4H-1-benzopyran-4-one

출처 및 근거

ORD 기록
ord-ca4a5f88c82f471f90850f5238a333e9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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