Dimethylformamide → 11-[[4-[4-(Pyrrolidine-1-carbonyl)phenyl]piperazin-1-yl]methyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

HRID 1142453Notes

Reaction equation

HRID 1142453 reaction equation
[CH2:31]1[CH2:32][CH2:33][NH:34][CH2:35]1.[CH3:60][N:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[O:1]=[C:2]1[CH:3]2[N:4]([c:5]3[c:6]([cH:8][c:9]([CH2:12][N:13]4[CH2:14][CH2:15][N:16]([c:19]5[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]5)[CH2:17][CH2:18]4)[cH:10][n:11]3)[NH:7]1)[CH2:28][CH2:29][CH2:30]2.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[O:1]=[C:2]1[CH:3]2[N:4]([c:5]3[c:6]([cH:8][c:9]([CH2:12][N:13]4[CH2:14][CH2:15][N:16]([c:19]5[cH:20][cH:21][c:22]([C:23](=[O:25])[N:34]6[CH2:33][CH2:32][CH2:31][CH2:35]6)[cH:26][cH:27]5)[CH2:17][CH2:18]4)[cH:10][n:11]3)[NH:7]1)[CH2:28][CH2:29][CH2:30]2

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 31268PyrrolidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 667752304-[4-[(7-Oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzoic acid

Product 1

HCID 7676052811-[[4-[4-(Pyrrolidine-1-carbonyl)phenyl]piperazin-1-yl]methyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

Sources & evidence

ORD record
ord-f4679fcbda8a4819b0ee3b9b3f4c64f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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