Acetonitrile → tert-butyl 4-(cyanomethyl)-4-{4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-1H-pyrazol-1-yl}piperidine-1-carboxylate

HRID 2330821Notes

Reaction equation

HRID 2330821 reaction equation
[C:37](#[N:38])[CH:39]=[C:40]1[CH2:41][CH2:42][N:43]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:44][CH2:45]1.[CH3:53][C:54]#[N:55].[N:1]12[CH2:2][CH2:3][CH2:4][N:5]=[C:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]2.[nH:12]1[n:13][cH:14][c:15](-[c:17]2[cH:18][n:19][c:20]3[n:21]([n:22]2)[c:23]([CH2:26][c:27]2[cH:28][c:29]4[cH:30][cH:31][cH:32][n:33][c:34]4[cH:35][cH:36]2)[cH:24][n:25]3)[cH:16]1>>[n:12]1([C:40]2([CH2:39][C:37]#[N:38])[CH2:41][CH2:42][N:43]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:44][CH2:45]2)[n:13][cH:14][c:15](-[c:17]2[cH:18][n:19][c:20]3[n:21]([n:22]2)[c:23]([CH2:26][c:27]2[cH:28][c:29]4[cH:30][cH:31][cH:32][n:33][c:34]4[cH:35][cH:36]2)[cH:24][n:25]3)[cH:16]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 15326949tert-Butyl 4-(cyanomethylidene)piperidine-1-carboxylateHCID 1363448476-[2-(1H-pyrazol-4-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]methylquinoline

Product 1

HCID 67223980tert-butyl 4-(cyanomethyl)-4-{4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-1H-pyrazol-1-yl}piperidine-1-carboxylate

Sources & evidence

ORD record
ord-83c25e7da8844ef19ce25ca7843f7592
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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