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Hydrochloric Acid → 6-(3-((5-fluoro-2-oxoindolin-3-ylidene)methyl)benzamido)-N-(2-amino-4-fluorophenyl)hexanamide

HRID 1216538
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HRID 1216538 반응식
[CH2:31]([N:32]=[C:33]=[N:34][CH2:35][CH2:36][CH2:37][N:38]([CH3:39])[CH3:40])[CH3:41].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[ClH:30].[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2=[CH:12][c:13]1[cH:14][c:15]([C:16](=[O:17])[NH:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29]1.[F:59][c:60]1[cH:61][c:62]([NH2:67])[c:63]([NH2:66])[cH:64][cH:65]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH:42][c:43]1[c:44]2[n:45][n:46][nH:47][c:48]2[cH:49][cH:50][cH:51]1>>[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2=[CH:12][c:13]1[cH:14][c:15]([C:16](=[O:17])[NH:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24](=[O:25])[NH:66][c:63]2[c:62]([NH2:67])[cH:61][c:60]([F:59])[cH:65][cH:64]2)[cH:27][cH:28][cH:29]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 1645844-Fluorobenzene-1,2-diamineHCID 690325116-(3-((5-Fluoro-2-oxoindolin-3-ylidene)methyl)benzamido)hexanoic acidHCID 178418300
HCID 178418300, 화합물

생성물 1

HCID 690327076-(3-((5-fluoro-2-oxoindolin-3-ylidene)methyl)benzamido)-N-(2-amino-4-fluorophenyl)hexanamide

출처 및 근거

ORD 기록
ord-a8f1b9a24ec9468db59cdda567472d9d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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