Dimethylformamide → 2-Bromo-N-[4-methoxy-7-(tetrahydro-pyran-4-yl)-benzothiazol-2-yl]-isonicotinamide

HRID 117525

Reaction equation

HRID 117525 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][n:10]1.[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:35][O:36][c:37]1[cH:38][cH:39][c:40]([CH:47]2[CH2:48][CH2:49][O:50][CH2:51][CH2:52]2)[c:41]2[c:42]1[n:43][c:44]([NH2:46])[s:45]2.[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:46][c:44]2[n:43][c:42]3[c:37]([O:36][CH3:35])[cH:38][cH:39][c:40]([CH:47]4[CH2:48][CH2:49][O:50][CH2:51][CH2:52]4)[c:41]3[s:45]2)[cH:8][cH:9][n:10]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 312751,4-DioxaneHCID 2227012-Bromoisonicotinic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 220157354-Methoxy-7-(tetrahydro-pyran-4-yl)-benzothiazol-2-yl-amine

Product 1

HCID 227195382-Bromo-N-[4-methoxy-7-(tetrahydro-pyran-4-yl)-benzothiazol-2-yl]-isonicotinamide

Sources & evidence

ORD record
ord-6c685c6df2e84938a0eae6afd6d112f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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