Bicarbonate Ion → N-{[4-(ethylamino)-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl]methyl}-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-indole-4-carboxamide

HRID 164107Notes

Reaction equation

HRID 164107 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19](=[O:28])[nH:20][c:21]([CH3:27])[cH:22][c:23]2[NH:24][CH2:25][CH3:26])[c:5]2[cH:6][cH:7][n:8]([CH:11]([CH3:12])[CH3:13])[c:9]2[cH:10]1.[C:51](=[O:52])([OH:53])[O-:54].[CH3:29][N:30]1[CH2:31][CH2:32][N:33]([c:36]2[n:37][cH:38][c:39]([B:42]3[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]3)[cH:40][cH:41]2)[CH2:34][CH2:35]1.[CH3:56][O:57][CH2:58][CH2:59][O:60][CH3:61].[Na+:55].[OH2:62]>>[c:2]1(-[c:39]2[cH:38][n:37][c:36]([N:33]3[CH2:32][CH2:31][N:30]([CH3:29])[CH2:35][CH2:34]3)[cH:41][cH:40]2)[cH:3][c:4]([C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19](=[O:28])[nH:20][c:21]([CH3:27])[cH:22][c:23]2[NH:24][CH2:25][CH3:26])[c:5]2[cH:6][cH:7][n:8]([CH:11]([CH3:12])[CH3:13])[c:9]2[cH:10]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 27696181-Methyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazineHCID 674685206-Bromo-N-{[4-(ethylamino)-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl]methyl}-1-(1-methylethyl)-1H-indole-4-carboxamide

Product 1

HCID 67467617N-{[4-(ethylamino)-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl]methyl}-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-indole-4-carboxamide

Sources & evidence

ORD record
ord-aeb25e4ce493404b85315cd4ac79ef8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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