Acetonitrile → Tert-butyl 3-[[5-[2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamoyl]azetidine-1-carboxylate

HRID 697460Notes

Reaction equation

HRID 697460 reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH2:32][CH:33]([C:35](=[O:36])[OH:37])[CH2:34]1.[CH3:71][C:72]#[N:73].[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([c:14]3[n:15][c:16]4[n:17]([cH:18][cH:19]3)[n:20][cH:21][c:22]4[NH2:23])[CH2:11][CH2:12][CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([c:14]3[n:15][c:16]4[n:17]([cH:18][cH:19]3)[n:20][cH:21][c:22]4[NH:23][C:35]([CH:33]3[CH2:32][N:31]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[CH2:34]3)=[O:36])[CH2:11][CH2:12][CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27559811-Boc-Azetidine-3-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 673303325-[2-(2-Chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine

Product 1

HCID 67328786Tert-butyl 3-[[5-[2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamoyl]azetidine-1-carboxylate

Sources & evidence

ORD record
ord-aebdab1e7673480cbded873a8d488318
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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