Potassium Cation → N-[3-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

HRID 148638Notes

Reaction equation

HRID 148638 reaction equation
[CH2:114]([Cl:115])[Cl:116].[CH3:111][OH:112].[CH3:1][O:2][C:3]([CH:4]([CH2:5][N:6]1[CH2:7][c:8]2[c:9]([nH:14][n:15][cH:16]2)[C:10]([CH3:12])([CH3:13])[CH2:11]1)[NH:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH:23]([N:26]2[C:27](=[O:36])[NH:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]3[CH2:35]2)[CH2:24][CH2:25]1)=[O:37].[CH:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH2:64][CH3:65])([CH3:66])[CH3:67].[K+:46].[Li+:40].[NH:47]1[CH2:48][CH2:49][CH:50]([N:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[CH2:51][CH2:52]1.[OH-:39].[OH2:113].[OH2:38].[OH:101][n:102]1[c:103]2[c:104]([cH:105][cH:106][cH:107][cH:108]2)[n:109][n:110]1.[P-:68]([F:69])([F:70])([F:71])([F:72])([F:73])[F:74].[S:41]([O-:42])([OH:43])(=[O:44])=[O:45].[n:75]1([O:76][P+:77]([N:78]2[CH2:79][CH2:80][CH2:81][CH2:82]2)([N:83]2[CH2:84][CH2:85][CH2:86][CH2:87]2)[N:88]2[CH2:89][CH2:90][CH2:91][CH2:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][c:98]2[n:99][n:100]1>>[C:3]([CH:4]([CH2:5][N:6]1[CH2:7][c:8]2[c:9]([nH:14][n:15][cH:16]2)[C:10]([CH3:12])([CH3:13])[CH2:11]1)[NH:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH:23]([N:26]2[C:27](=[O:36])[NH:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]3[CH2:35]2)[CH2:24][CH2:25]1)(=[O:37])[N:47]1[CH2:48][CH2:49][CH:50]([N:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[CH2:51][CH2:52]1

Participants

14

Reactant 13

HCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 28486Lithium ionHCID 61778Sulfate, hydrogenHCID 757711-HydroxybenzotriazoleHCID 786071,4'-BipiperidineHCID 81531DiisopropylethylamineHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 24863324(+/-)-3-(7,7-Dimethyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl)-2-{[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidine-1-carbonyl]-amino}-propionic Acid Methyl Ester

Product 1

HCID 10372022N-[3-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

Sources & evidence

ORD record
ord-f0a64986de0749eab600aea6f236f1b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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