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Potassium Cation → tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-N-[2-[6-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexylsulfanyl]ethyl]carbamate

HRID 816486
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HRID 816486 반응식
[C:49](=[O:50])([O-:51])[O-:52].[CH3:55][OH:56].[K+:53].[K+:54].[OH2:57].[OH:1][CH:2]([CH2:3][N:4]([C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[CH2:12][CH2:13][S:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][N:21]1[CH2:22][CH2:23][C:24]2([CH2:25][N:26]([C:30](=[O:31])[C:32]([F:33])([F:34])[F:35])[CH2:27][CH2:28][O:29]2)[CH2:36][CH2:37]1)[c:38]1[cH:39][cH:40][c:41]([OH:48])[c:42]2[nH:43][c:44](=[O:47])[s:45][c:46]12>>[OH:1][CH:2]([CH2:3][N:4]([C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[CH2:12][CH2:13][S:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][N:21]1[CH2:22][CH2:23][C:24]2([CH2:25][NH:26][CH2:27][CH2:28][O:29]2)[CH2:36][CH2:37]1)[c:38]1[cH:39][cH:40][c:41]([OH:48])[c:42]2[nH:43][c:44](=[O:47])[s:45][c:46]12
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참가 물질

6

반응물 5

HCID 813Potassium Cation2회HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 76698033tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-N-[2-[6-[4-(2,2,2-trifluoroacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]hexylsulfanyl]ethyl]carbamate

생성물 1

HCID 67291979
tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-N-[2-[6-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexylsulfanyl]ethyl]carbamate

출처 및 근거

ORD 기록
ord-a6d544cec91e49ff8c630b5c60cb9690
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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