Dimethylformamide → 3-[1-[1-(cyclopropanecarbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one

HRID 2149896Notes

Reaction equation

HRID 2149896 reaction equation
[CH3:1][C:2]1([N:8]2[CH2:9][CH2:10][CH:11]([N:14]3[C:15](=[O:23])[NH:16][CH:17]4[CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]4)[CH2:12][CH2:13]2)[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH2:59][CH3:60])([CH3:61])[CH3:62].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH:24][C:25](=[O:26])[CH:27]1[CH2:28][CH2:29]1.[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH3:1][C:2]1([N:8]2[CH2:9][CH2:10][CH:11]([N:14]3[C:15](=[O:23])[NH:16][CH:17]4[CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]4)[CH2:12][CH2:13]2)[CH2:3][CH2:4][N:5]([C:25](=[O:24])[CH:27]2[CH2:28][CH2:29]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 15655Cyclopropanecarboxylic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 576198323-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one

Product 1

HCID 1784320183-[1-[1-(cyclopropanecarbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one

Sources & evidence

ORD record
ord-5d601ad6f8914174987f0f60835c25da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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