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

HRID 699139
Notes
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Reaction equation

HRID 699139 reaction equation
[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:36][CH:37]([Cl:38])[Cl:39].[H-:1].[Na+:2].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH:30][CH2:31][C:32]([F:33])([F:34])[F:35]>>[c:4]1([O:30][CH2:31][C:32]([F:33])([F:34])[F:35])[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
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 923Sodium IonHCID 6212ChloroformHCID 6228DimethylformamideHCID 64092,2,2-TrifluoroethanolHCID 312751,4-DioxaneHCID 166653HydrideHCID 22507693(+)-2-bromo-N-(7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-isonicotinamide

Product 1

HCID 22507705(+)-N-(7-[1,4]Dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-2-(2,2,2-trifluoro-ethoxy)-isonicotinamide

Sources & evidence

ORD record
ord-29a3994eba10449fbf2d5cedbbb6c6a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes