Dimethylformamide → 5-chloro-4-[(2-cyclopentyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-2-fluoro-N-(1-methyl-4-piperidyl)benzamide

HRID 1553185Notes

Reaction equation

HRID 1553185 reaction equation
[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[Cl:1][c:2]1[c:3]([NH:12][c:13]2[n:14][cH:15][c:16]3[c:22]([n:23]2)[N:21]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)[CH2:20][CH2:19][C:18](=[O:29])[N:17]3[CH3:30])[cH:4][c:5]([F:11])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[NH2:31][CH:32]1[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[Cl:1][c:2]1[c:3]([NH:12][c:13]2[n:14][cH:15][c:16]3[c:22]([n:23]2)[N:21]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)[CH2:20][CH2:19][C:18](=[O:29])[N:17]3[CH3:30])[cH:4][c:5]([F:11])[c:6]([C:7](=[O:8])[NH:31][CH:32]2[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]2)[cH:10]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27375314-Amino-1-methylpiperidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 686827155-Chloro-4-[(2-cyclopentyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-2-fluoro-benzoic acid

Product 1

HCID 686849065-chloro-4-[(2-cyclopentyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-2-fluoro-N-(1-methyl-4-piperidyl)benzamide

Sources & evidence

ORD record
ord-78563f2eaf56465dbe3c4f63c43e38ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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