Acetate → N2-{4-[7-Amino-3-(4-piperidyl)-1H-pyrazolo[4,3-d]pyrimidin-1-yl]phenyl}-1-methyl-1H-2-indolecarboxamide

HRID 700727Notes

Reaction equation

HRID 700727 reaction equation
[C:31]([Cl:32])([Cl:33])=[O:34].[CH3:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44]1.[CH3:83][C:84](=[O:85])[O-:86].[NH2:1][c:2]1[c:3]2[n:4](-[c:5]3[cH:6][cH:7][c:8]([NH2:9])[cH:10][cH:11]3)[n:12][c:13]([CH:14]3[CH2:15][CH2:16][N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:25][CH2:26]3)[c:27]2[n:28][cH:29][n:30]1.[NH2:45][c:46]1[c:47]2[c:48]([n:49][cH:50][n:51]1)[c:52]([CH:76]1[CH2:77][CH2:78][NH:79][CH2:80][CH2:81]1)[n:53][n:54]2-[c:55]1[cH:56][c:57]([O:74][CH3:75])[c:58]([NH:61][C:62](=[O:63])[c:64]2[n:65]([CH3:73])[c:66]3[cH:67][cH:68][cH:69][cH:70][c:71]3[cH:72]2)[cH:59][cH:60]1.[NH4+:82]>>[NH2:45][c:46]1[c:47]2[c:48]([n:49][cH:50][n:51]1)[c:52]([CH:76]1[CH2:77][CH2:78][NH:79][CH2:80][CH2:81]1)[n:53][n:54]2-[c:55]1[cH:56][cH:57][c:58]([NH:61][C:62](=[O:63])[c:64]2[n:65]([CH3:73])[c:66]3[cH:67][cH:68][cH:69][cH:70][c:71]3[cH:72]2)[cH:59][cH:60]1

Participants

7

Reactant 6

HCID 175AcetateHCID 223AmmoniumHCID 6371PhosgeneHCID 117811-MethylindoleHCID 10006025N2-{4-[7-amino-3-(4-piperidyl)-1H-pyrazolo[4,3-d]pyrimidin-1-yl]-2-methoxyphenyl}-1-methyl-1H-2-indolecarboxamideHCID 68518101tert-Butyl 4-[7-amino-1-(4-aminophenyl)-1H-pyrazolo[4,3-d]pyrimidine-3-yl]-1-piperidinecarboxylate

Product 1

HCID 10434694N2-{4-[7-Amino-3-(4-piperidyl)-1H-pyrazolo[4,3-d]pyrimidin-1-yl]phenyl}-1-methyl-1H-2-indolecarboxamide

Sources & evidence

ORD record
ord-76bc9a6d37d64c73b23413298ee0c501
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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