Methanol → 4-[(2-cyclopentyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-3-methoxy-N-(1-propyl-4-piperidyl)benzamide

HRID 189156Notes

Reaction equation

HRID 189156 reaction equation
[CH3:74][OH:75].[CH:1]1([N:6]2[c:7]3[n:8][c:9]([NH:19][c:20]4[c:21]([O:29][CH3:30])[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]4)[n:10][cH:11][c:12]3[N:13]([CH3:18])[C:14](=[O:17])[CH2:15][CH2:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[NH2:64][CH:65]1[CH2:66][CH2:67][N:68]([CH2:71][CH2:72][CH3:73])[CH2:69][CH2:70]1.[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH:1]1([N:6]2[c:7]3[n:8][c:9]([NH:19][c:20]4[c:21]([O:29][CH3:30])[cH:22][c:23]([C:24](=[O:25])[NH:64][CH:65]5[CH2:66][CH2:67][N:68]([CH2:71][CH2:72][CH3:73])[CH2:69][CH2:70]5)[cH:27][cH:28]4)[n:10][cH:11][c:12]3[N:13]([CH3:18])[C:14](=[O:17])[CH2:15][CH2:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 887MethanolHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 5417301-Propylpiperidin-4-amineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 426102404-(9-cyclopentyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid

Product 1

HCID 686836184-[(2-cyclopentyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-3-methoxy-N-(1-propyl-4-piperidyl)benzamide

Sources & evidence

ORD record
ord-ebbfdb683bcf426baa071d6000fca7d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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