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Acetate → tert-butyl {[5-{2-fluoro-3-[(hydroxyimino)methyl]phenyl}-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamate

HRID 1218767
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HRID 1218767 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH2:9][c:10]1[cH:11][n:12]([S:24](=[O:25])(=[O:26])[c:27]2[cH:28][n:29][cH:30][cH:31][cH:32]2)[c:13](-[c:15]2[c:16]([F:23])[c:17]([CH:21]=[O:22])[cH:18][cH:19][cH:20]2)[cH:14]1)=[O:33].[CH3:38][C:39](=[O:40])[O-:41].[CH3:47][CH:48]([OH:49])[CH3:50].[ClH:34].[NH2:35][OH:36].[Na+:37].[Na+:42].[OH:43][C:44](=[O:45])[O-:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH2:9][c:10]1[cH:11][n:12]([S:24](=[O:25])(=[O:26])[c:27]2[cH:28][n:29][cH:30][cH:31][cH:32]2)[c:13](-[c:15]2[c:16]([F:23])[c:17]([CH:21]=[N:35][OH:36])[cH:18][cH:19][cH:20]2)[cH:14]1)=[O:33]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 175AcetateHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 787HydroxylamineHCID 923Sodium Ion2회HCID 3776IsopropanolHCID 86631002tert-butyl {[5-(2-fluoro-3-formylphenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamate

생성물 1

HCID 86631005tert-butyl {[5-{2-fluoro-3-[(hydroxyimino)methyl]phenyl}-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamate

출처 및 근거

ORD 기록
ord-21db9f4b02d24e62ba231e4ba25352c3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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