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Hydrochloric Acid → 6-Bromo-2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazole

HRID 96223
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HRID 96223 반응식
[C:25](=[O:26])([O-:27])[O-:28].[CH3:32][N:33]([CH3:34])[CH:35]=[O:36].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[Cl:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([Br:11])[cH:10]2.[ClH:12].[ClH:13].[K+:29].[K+:30].[NH:14]1[CH2:15][CH:16]([N:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[CH2:17][CH2:18]1.[OH2:31]>>[c:2]1([N:14]2[CH2:15][CH:16]([N:19]3[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]3)[CH2:17][CH2:18]2)[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([Br:11])[cH:10]2
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 20498716-Bromo-2-chlorobenzothiazoleHCID 230096171-(Pyrrolidin-3-yl)piperidine

생성물

출처 및 근거

ORD 기록
ord-b92e9d976a2f44319f8b7f14135ec0a8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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HCID 669061216-Bromo-2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazole