Dimethylformamide → 3,5-dichloro-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 179650Notes

Reaction equation

HRID 179650 reaction equation
[CH:64]([N:65]([CH:66]([CH3:67])[CH3:68])[CH2:69][CH3:70])([CH3:71])[CH3:72].[Cl:1][c:2]1[c:3]([F:31])[c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([Cl:30])[c:10]1[NH:11][c:12]1[n:13][cH:14][c:15]2[c:21]([n:22]1)[N:20]([CH:23]1[CH2:24][CH2:25][CH2:26][CH2:27]1)[CH2:19][CH2:18][C:17](=[O:28])[N:16]2[CH3:29].[NH2:56][CH:57]1[CH2:58][CH2:59][N:60]([CH3:63])[CH2:61][CH2:62]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[Cl:1][c:2]1[c:3]([F:31])[c:4]([C:5](=[O:6])[NH:56][CH:57]2[CH2:58][CH2:59][N:60]([CH3:63])[CH2:61][CH2:62]2)[cH:8][c:9]([Cl:30])[c:10]1[NH:11][c:12]1[n:13][cH:14][c:15]2[c:21]([n:22]1)[N:20]([CH:23]1[CH2:24][CH2:25][CH2:26][CH2:27]1)[CH2:19][CH2:18][C:17](=[O:28])[N:16]2[CH3:29]

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 866175623,5-Dichloro-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 866175613,5-dichloro-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-19f9c52bf6254115b5ee4c81ea9f0fad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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