Dimethylformamide → 5-Ethynyl-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-imidazol-4-yl)methyl)thiophene-2-carboxamide

HRID 1540074Notes

Reaction equation

HRID 1540074 reaction equation
[C:1](#[CH:2])[c:3]1[cH:4][cH:5][c:6]([C:8](=[O:9])[OH:10])[s:7]1.[NH2:35][CH2:36][c:37]1[n:38][cH:39][n:40](-[c:42]2[cH:43][cH:44][c:45](-[n:48]3[c:49](=[O:54])[cH:50][cH:51][cH:52][cH:53]3)[cH:46][cH:47]2)[cH:41]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[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>>[C:1](#[CH:2])[c:3]1[cH:4][cH:5][c:6]([C:8](=[O:10])[NH:35][CH2:36][c:37]2[n:38][cH:39][n:40](-[c:42]3[cH:43][cH:44][c:45](-[n:48]4[c:49](=[O:54])[cH:50][cH:51][cH:52][cH:53]4)[cH:46][cH:47]3)[cH:41]2)[s:7]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 450847505-Ethynylthiophene-2-carboxylic acidHCID 669741021-(4-(4-(aminomethyl)-1H-imidazol-1-yl)phenyl)pyridin-2(1H)-one

Product 1

HCID 247604525-Ethynyl-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-imidazol-4-yl)methyl)thiophene-2-carboxamide

Sources & evidence

ORD record
ord-4729df4651054de1a3752800b1565bb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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