Ammonium → N-(4-(1-(4-methoxybenzyl)-3-(4-(dimethylamino)piperidin-1-yl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)-3-(4-fluorophenyl)-2-oxo-3-aza-bicyclo[3.1.0]hexane-1-carboxamide

HRID 1544079Notes

Reaction equation

HRID 1544079 reaction equation
[CH3:54][CH2:55][N:56]=[C:57]=[N:58][CH2:59][CH2:60][CH2:61][N:62]([CH3:63])[CH3:64].[Cl-:75].[F:37][c:38]1[cH:39][cH:40][c:41]([N:44]2[C:45](=[O:53])[C:46]3([C:50](=[O:51])[OH:52])[CH2:47][CH:48]3[CH2:49]2)[cH:42][cH:43]1.[NH2:1][c:2]1[cH:3][c:4]([F:36])[c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[n:13]([CH2:25][c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[n:14][c:15]3[N:16]2[CH2:17][CH2:18][CH:19]([N:22]([CH3:23])[CH3:24])[CH2:20][CH2:21]2)[cH:34][cH:35]1.[NH4+:76].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH:65][n:66]1[c:67]2[c:68]([cH:69][cH:70][cH:71][cH:72]2)[n:73][n:74]1>>[NH:1]([c:2]1[cH:3][c:4]([F:36])[c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[n:13]([CH2:25][c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[n:14][c:15]3[N:16]2[CH2:17][CH2:18][CH:19]([N:22]([CH3:23])[CH3:24])[CH2:20][CH2:21]2)[cH:34][cH:35]1)[C:50]([C:46]12[C:45](=[O:53])[N:44]([c:41]3[cH:40][cH:39][c:38]([F:37])[cH:43][cH:42]3)[CH2:49][CH:48]1[CH2:47]2)=[O:51]

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 673496483-(4-Fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-1-carboxylic acidHCID 685138871-(1-(4-methoxybenzyl)-4-(4-amino-2-fluorophenoxy)-1H-pyrazolo[3,4-b]pyridin-3-yl)-N,N-dimethylpiperidin-4-amine

Product 1

HCID 68512071N-(4-(1-(4-methoxybenzyl)-3-(4-(dimethylamino)piperidin-1-yl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)-3-(4-fluorophenyl)-2-oxo-3-aza-bicyclo[3.1.0]hexane-1-carboxamide

Sources & evidence

ORD record
ord-36b618b73a5a41afb32719137ee16bb0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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