Potassium Cation → Acetic acid 4-{8-[4-(4-isopropylpiperazin-1-yl)phenylamino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl}pyridin-2-ylmethyl ester

HRID 156235Notes

Reaction equation

HRID 156235 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([NH:11][c:12]2[cH:13][cH:14][c:15]([N:18]3[CH2:19][CH2:20][N:21]([CH:24]([CH3:25])[CH3:26])[CH2:22][CH2:23]3)[cH:16][cH:17]2)[c:6]2[n:7]1[n:8][cH:9][n:10]2.[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][C:34]1([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39][B:40]([c:41]2[cH:42][c:43]([CH2:47][O:48][C:49]([CH3:50])=[O:51])[n:44][cH:45][cH:46]2)[O:52]1.[K+:31].[K+:32].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[OH2:53]>>[c:2]1(-[c:41]2[cH:42][c:43]([CH2:47][O:48][C:49]([CH3:50])=[O:51])[n:44][cH:45][cH:46]2)[cH:3][n:4][c:5]([NH:11][c:12]2[cH:13][cH:14][c:15]([N:18]3[CH2:19][CH2:20][N:21]([CH:24]([CH3:25])[CH3:26])[CH2:22][CH2:23]3)[cH:16][cH:17]2)[c:6]2[n:7]1[n:8][cH:9][n:10]2

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 49760405(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)pyridin-2-YL)methyl acetateHCID 57590046(5-Bromo[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-[4-(4-isopropylpiperazin-1-yl)-phenyl]amine

Product 1

HCID 57590057Acetic acid 4-{8-[4-(4-isopropylpiperazin-1-yl)phenylamino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl}pyridin-2-ylmethyl ester

Sources & evidence

ORD record
ord-fafcd67845654e4daacc641e08f62649
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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