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Sodium Ion → (+)-N-(7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-2-(2-morpholin-4-yl-ethoxy)-isonicotinamide

HRID 298184
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HRID 298184 반응식
[Br:28][c:29]1[cH:30][c:31]([C:32](=[O:33])[NH:34][c:35]2[s:36][c:37]3[c:38]([n:39]2)[c:40]([O:50][CH3:51])[cH:41][cH:42][c:43]3[CH:44]2[O:45][CH2:46][CH2:47][O:48][CH2:49]2)[cH:52][cH:53][n:54]1.[C:10]([c:11]1[c:12]([OH:13])[c:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][c:20]([CH3:21])[cH:22]1)([CH3:23])([CH3:24])[CH3:25].[H-:26].[Na+:27].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][O:7][CH2:8][CH2:9]1>>[O:1]([CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][O:7][CH2:8][CH2:9]1)[c:29]1[cH:30][c:31]([C:32](=[O:33])[NH:34][c:35]2[s:36][c:37]3[c:38]([n:39]2)[c:40]([O:50][CH3:51])[cH:41][cH:42][c:43]3[CH:44]2[O:45][CH2:46][CH2:47][O:48][CH2:49]2)[cH:52][cH:53][n:54]1
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참가 물질

8

반응물 7

HCID 923Sodium IonHCID 6228DimethylformamideHCID 312751,4-DioxaneHCID 314042,6-Di-tert-butyl-4-methylphenolHCID 611632-MorpholinoethanolHCID 166653HydrideHCID 22507693(+)-2-bromo-N-(7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-isonicotinamide

생성물 1

HCID 11466172(+)-N-(7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-2-(2-morpholin-4-yl-ethoxy)-isonicotinamide

출처 및 근거

ORD 기록
ord-6b9975ff0f0e431b9543da4c0075d1a2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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