Dimethylformamide → 1-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonyl-N-propan-2-ylpyrrolidine-3-carboxamide

HRID 196844Notes

Reaction equation

HRID 196844 reaction equation
[C:29]([CH3:30])([CH3:31])([CH3:32])[c:33]1[n:34][c:35]2[c:36]([n:37]1[CH2:38][CH:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1)[cH:45][cH:46][c:47]([S:49](=[O:50])(=[O:51])[N:52]1[CH2:53][CH:54]([C:57](=[O:58])[OH:59])[CH2:55][CH2:56]1)[cH:48]2.[CH3:1][CH:2]([CH3:3])[NH2:4].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:5]([F:6])([F:7])([F:8])([F:9])([F:10])[F:11].[n:12]1([O:13][C:14]([N:15]([CH3:16])[CH3:17])=[N+:18]([CH3:19])[CH3:20])[c:21]2[n:22][cH:23][cH:24][cH:25][c:26]2[n:27][n:28]1>>[CH3:1][CH:2]([CH3:3])[NH:4][C:57]([CH:54]1[CH2:53][N:52]([S:49]([c:47]2[cH:46][cH:45][c:36]3[c:35]([n:34][c:33]([C:29]([CH3:30])([CH3:31])[CH3:32])[n:37]3[CH2:38][CH:39]3[CH2:40][CH2:41][O:42][CH2:43][CH2:44]3)[cH:48]2)(=[O:50])=[O:51])[CH2:56][CH2:55]1)=[O:59]

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 579373041-{[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}pyrrolidine-3-carboxylic acid

Product 1

HCID 236587681-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonyl-N-propan-2-ylpyrrolidine-3-carboxamide

Sources & evidence

ORD record
ord-b68f26f75c27464dbeaeb84178fb7d8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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