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

HRID 1122067
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반응식

HRID 1122067 반응식
[Br:3][c:4]1[cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[s:11][c:12]3[c:13]([n:14]2)[c:15]([O:25][CH3:26])[cH:16][cH:17][c:18]3[CH:19]2[O:20][CH2:21][CH2:22][O:23][CH2:24]2)[cH:27][cH:28][n:29]1.[Cl:35][CH:36]([Cl:37])[Cl:38].[H-:1].[Na+:2].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH:30][CH2:31][CH:32]1[CH2:33][CH2:34]1>>[c:4]1([O:30][CH2:31][CH:32]2[CH2:33][CH2:34]2)[cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[s:11][c:12]3[c:13]([n:14]2)[c:15]([O:25][CH3:26])[cH:16][cH:17][c:18]3[CH:19]2[O:20][CH2:21][CH2:22][O:23][CH2:24]2)[cH:27][cH:28][n:29]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium IonHCID 6212ChloroformHCID 6228DimethylformamideHCID 312751,4-DioxaneHCID 75644CyclopropanemethanolHCID 166653HydrideHCID 22507693(+)-2-bromo-N-(7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-isonicotinamide

생성물 1

HCID 22507765(+)-2-Cyclopropylmethoxy-N-(7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-isonicotinamide

출처 및 근거

ORD 기록
ord-93633bdf134f428f91086e1a49ec921f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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