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Ammonium → Methyl 4-(allylamino)-5-amino-3-fluoro-2-(2-fluoro-4-iodophenylamino)benzoate

HRID 2151813
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인쇄 미리보기

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HRID 2151813 반응식
[C:32](=[O:33])([OH:34])[O-:35].[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:18][c:19]2[c:20]([F:26])[cH:21][c:22]([I:25])[cH:23][cH:24]2)[c:6]([F:17])[c:7]([NH:13][CH2:14][CH:15]=[CH2:16])[c:8]([N+:10]([O-:11])=[O:12])[cH:9]1)=[O:27].[CH3:30][OH:31].[Cl-:28].[Fe:37].[NH4+:29].[Na+:36].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:18][c:19]2[c:20]([F:26])[cH:21][c:22]([I:25])[cH:23][cH:24]2)[c:6]([F:17])[c:7]([NH:13][CH2:14][CH:15]=[CH2:16])[c:8]([NH2:10])[cH:9]1)=[O:27]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 223AmmoniumHCID 312ChlorideHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium IonHCID 23925IronHCID 312751,4-DioxaneHCID 58781109Methyl 4-(allylamino)-3-fluoro-2-(2-fluoro-4-iodophenylamino)-5-nitrobenzoate

출처 및 근거

ORD 기록
ord-fa7b3791abdc4d07a1dd165fe6fd4ffe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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생성물 1

HCID 58781154Methyl 4-(allylamino)-5-amino-3-fluoro-2-(2-fluoro-4-iodophenylamino)benzoate