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Acetic Acid → 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[3-[[4-(2-methyl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]methylamino]ethyl]-8-hydroxy-1H-quinolin-2-one

HRID 2334142
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HRID 2334142 반응식
[C:56]([O:57][BH-:58]([O:59][C:60](=[O:61])[CH3:62])[O:63][C:64](=[O:65])[CH3:66])(=[O:67])[CH3:68].[CH3:1][c:2]1[s:3][cH:4][c:5]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][O:12][C:13]3([CH2:14]2)[CH2:15][CH2:16][N:17]([CH2:20][c:21]2[cH:22][c:23]([CH:24]=[O:25])[cH:26][cH:27][cH:28]2)[CH2:18][CH2:19]3)[n:6]1.[CH3:52][C:53](=[O:54])[OH:55].[CH3:70][OH:71].[NH2:29][CH2:30][CH:31]([O:32][Si:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[CH3:39])[c:40]1[c:41]2[cH:42][cH:43][c:44](=[O:51])[nH:45][c:46]2[c:47]([OH:50])[cH:48][cH:49]1.[Na+:69]>>[CH3:1][c:2]1[s:3][cH:4][c:5]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][O:12][C:13]3([CH2:14]2)[CH2:15][CH2:16][N:17]([CH2:20][c:21]2[cH:22][c:23]([CH2:24][NH:29][CH2:30][CH:31]([O:32][Si:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[CH3:39])[c:40]4[c:41]5[cH:42][cH:43][c:44](=[O:51])[nH:45][c:46]5[c:47]([OH:50])[cH:48][cH:49]4)[cH:26][cH:27][cH:28]2)[CH2:18][CH2:19]3)[n:6]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 2724942TriacetoxyborohydrideHCID 218806025-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-quinolin-2-oneHCID 579889313-((4-(2-Methylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)benzaldehyde

생성물 1

HCID 672919775-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[3-[[4-(2-methyl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]methylamino]ethyl]-8-hydroxy-1H-quinolin-2-one

출처 및 근거

ORD 기록
ord-56925bab16c944b0a42aa2ede7c1d8d2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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