Dimethylformamide → 1-{[2-(1,1-Dimethylpropyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-N-isopropyl-1H-pyrazole-4-carboxamide

HRID 170192Notes

Reaction equation

HRID 170192 reaction equation
[CH3:14][C:15]([CH2:16][CH3:17])([CH3:18])[c:19]1[n:20][c:21]2[c:22]([n:23]1[CH2:24][CH:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1)[cH:31][cH:32][c:33]([S:35](=[O:36])(=[O:37])[n:38]1[n:39][cH:40][c:41]([C:43](=[O:44])[OH:45])[cH:42]1)[cH:34]2.[CH3:1][CH:2]([CH3:3])[NH2:4].[CH:5]([N:6]([CH2:7][CH3:8])[CH:9]([CH3:10])[CH3:11])([CH3:12])[CH3:13].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[CH3:1][CH:2]([CH3:3])[NH:4][C:43]([c:41]1[cH:40][n:39][n:38]([S:35]([c:33]2[cH:32][cH:31][c:22]3[c:21]([n:20][c:19]([C:15]([CH3:14])([CH2:16][CH3:17])[CH3:18])[n:23]3[CH2:24][CH:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[cH:34]2)(=[O:36])=[O:37])[cH:42]1)=[O:44]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 6363IsopropylamineHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 579373031-(2-tert-pentyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-5-ylsulfonyl)-1H-pyrazole-4-carboxylic acid

Product 1

HCID 236604891-{[2-(1,1-Dimethylpropyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-N-isopropyl-1H-pyrazole-4-carboxamide

Sources & evidence

ORD record
ord-d20814b051984a6786a890bfe07a01ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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