Hexafluorophosphate → Tert-butyl 4-(1-(4-chlorophenyl)-2-(methylsulfonamido)ethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

HRID 99906Notes

Reaction equation

HRID 99906 reaction equation
[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[NH:32][C:33]1([C:48](=[O:49])[OH:50])[CH2:34][CH2:35][N:36]([c:39]2[c:40]3[c:41]([n:42][cH:43][n:44]2)[nH:45][cH:46][cH:47]3)[CH2:37][CH2:38]1.[CH2:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH:56]([CH3:57])[CH3:58])[CH3:59].[CH3:75][N:76]1[CH2:77][CH2:78][CH2:79][C:80]1=[O:81].[NH2:60][CH:61]([CH2:62][NH:63][S:64](=[O:65])(=[O:66])[CH3:67])[c:68]1[cH:69][cH:70][c:71]([Cl:74])[cH:72][cH:73]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[NH:32][C:33]1([C:48](=[O:49])[NH:60][CH:61]([CH2:62][NH:63][S:64](=[O:65])(=[O:66])[CH3:67])[c:68]2[cH:69][cH:70][c:71]([Cl:74])[cH:72][cH:73]2)[CH2:34][CH2:35][N:36]([c:39]2[c:40]3[c:41]([n:42][cH:43][n:44]2)[nH:45][cH:46][cH:47]3)[CH2:37][CH2:38]1

Participants

7

Reactant 6

HCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57750324N-[2-amino-2-(4-chlorophenyl)ethyl]methanesulfonamideHCID 577503944-((tert-Butoxycarbonyl)amino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

Product 1

HCID 57750276Tert-butyl 4-(1-(4-chlorophenyl)-2-(methylsulfonamido)ethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Sources & evidence

ORD record
ord-a9bf2fa813d2416dae3090b24e099412
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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