Sodium ion → [5-[4-(4-Isopropyl-piperazin-1-ylmethyl)-phenyl]-6'-(1-methyl-1H-pyrazol-3-yl)-[3,4']bipyridinyl-2'-yl]-methyl-amine

HRID 1142244Notes

Reaction equation

HRID 1142244 reaction equation
[Br:26][c:27]1[cH:28][c:29](-[c:33]2[cH:34][c:35]([NH:45][CH3:46])[n:36][c:37](-[c:39]3[n:40][n:41]([CH3:44])[cH:42][cH:43]3)[cH:38]2)[cH:30][n:31][cH:32]1.[C:20](=[O:21])([O-:22])[O-:23].[CH3:47][O:48][CH2:49][CH2:50][O:51][CH3:52].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([CH2:10][c:11]2[cH:12][cH:13][c:14]([B:17]([OH:18])[OH:19])[cH:15][cH:16]2)[CH2:8][CH2:9]1.[Cl:53][CH2:54][Cl:55].[Na+:24].[Na+:25]>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([CH2:10][c:11]2[cH:12][cH:13][c:14](-[c:27]3[cH:28][c:29](-[c:33]4[cH:34][c:35]([NH:45][CH3:46])[n:36][c:37](-[c:39]5[n:40][n:41]([CH3:44])[cH:42][cH:43]5)[cH:38]4)[cH:30][n:31][cH:32]3)[cH:15][cH:16]2)[CH2:8][CH2:9]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 615342304-((4-Isopropyl-piperazin-1-yl)methyl)-phenyl boronic acidHCID 68759433[5-Bromo-6'-(1-methyl-1H-pyrazol-3-yl)-[3,4']bipyridinyl-2'-yl]-methyl-amine

Product 1

HCID 68762837[5-[4-(4-Isopropyl-piperazin-1-ylmethyl)-phenyl]-6'-(1-methyl-1H-pyrazol-3-yl)-[3,4']bipyridinyl-2'-yl]-methyl-amine

Sources & evidence

ORD record
ord-e103026e32a149f4a3e319c502239d3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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