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

HRID 2136085
Notes
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Reaction equation

HRID 2136085 reaction equation
[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].[CH2:35]([CH3:36])[O:37][CH:38]1[CH2:39][NH:40][CH2:41]1.[Cl:42][CH:43]([Cl:44])[Cl:45].[ClH:34].[Cs+:32].[Cs+:33].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[c:2]1([N:40]2[CH2:39][CH:38]([O:37][CH2:35][CH3:36])[CH2:41]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
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6212ChloroformHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 22507693(+)-2-bromo-N-(7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-isonicotinamideHCID 22507733
3-Ethoxyazetidine

Product 1

HCID 22507758(+)-N-(7-[1,4]Dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-2-(3-ethoxy-azetidin-1-yl)-isonicotinamide

Sources & evidence

ORD record
ord-6e78882d00ac46fc9cfc24322da435a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes