Sodium ion → 2-(1-Benzothien-2-yl)-5-{[2-(1,3-thiazol-2-yl)butanoyl]amino}benzamide

HRID 195272Notes

Reaction equation

HRID 195272 reaction equation
[CH3:61][N:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[Na+:11].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1.[s:12]1[c:13](-[c:21]2[c:22]([C:23](=[O:24])[NH2:25])[cH:26][c:27]([NH:30][C:31]([CH:32]([CH2:33][CH3:34])[Br:35])=[O:36])[cH:28][cH:29]2)[cH:14][c:15]2[c:16]1[cH:17][cH:18][cH:19][cH:20]2.[s:1]1[c:2]([CH:6]([CH3:7])[C:8]([O-:9])=[O:10])[n:3][cH:4][cH:5]1>>[s:1]1[c:2]([CH:32]([C:31]([NH:30][c:27]2[cH:26][c:22]([C:23](=[O:24])[NH2:25])[c:21](-[c:13]3[s:12][c:16]4[c:15]([cH:14]3)[cH:20][cH:19][cH:18][cH:17]4)[cH:29][cH:28]2)=[O:36])[CH2:33][CH3:34])[n:3][cH:4][cH:5]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 198835532-(1,3-Thiazol-2-yl)propanoateHCID 594284882-(1-Benzothien-2-yl)-5-[(2-bromobutanoyl)amino]benzamide

Product 1

HCID 594284902-(1-Benzothien-2-yl)-5-{[2-(1,3-thiazol-2-yl)butanoyl]amino}benzamide

Sources & evidence

ORD record
ord-6e42a83df4fe450295b75afca4b112e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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