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Hydrochloric Acid → (+)-N-(7-[1,4]Dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-2-(3-methoxy-azetidin-1-yl)-isonicotinamide

HRID 173136
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반응식

HRID 173136 반응식
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[s:9][c:10]3[c:11]([n:12]2)[c:13]([O:23][CH3:24])[cH:14][cH:15][c:16]3[CH:17]2[O:18][CH2:19][CH2:20][O:21][CH2:22]2)[cH:25][cH:26][n:27]1.[C:28](=[O:29])([O-:30])[O-:31].[CH3:35][O:36][CH:37]1[CH2:38][NH:39][CH2:40]1.[Cl:41][CH:42]([Cl:43])[Cl:44].[ClH:34].[Cs+:32].[Cs+:33].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[c:2]1([N:39]2[CH2:38][CH:37]([O:36][CH3:35])[CH2:40]2)[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[s:9][c:10]3[c:11]([n:12]2)[c:13]([O:23][CH3:24])[cH:14][cH:15][c:16]3[CH:17]2[O:18][CH2:19][CH2:20][O:21][CH2:22]2)[cH:25][cH:26][n:27]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6212ChloroformHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 134019963-MethoxyazetidineHCID 22507693(+)-2-bromo-N-(7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-isonicotinamide

생성물 1

HCID 11487896(+)-N-(7-[1,4]Dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-2-(3-methoxy-azetidin-1-yl)-isonicotinamide

출처 및 근거

ORD 기록
ord-1db06a51beb44a8f92155f3c28dd291c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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