Sodium ion → HCID 68096417, compound

HRID 148487Notes

Reaction equation

HRID 148487 reaction equation
[C:23]([CH3:24])(=[O:25])[O:26][CH2:27][c:28]1[c:29]([N:43]2[C:44](=[O:56])[c:45]3[n:46]([c:47]4[c:52]([cH:53]3)[CH2:51][CH2:50][CH2:49][CH2:48]4)[CH2:54][CH2:55]2)[cH:30][cH:31][cH:32][c:33]1[B:34]1[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]1.[C:57](=[O:58])([O-:59])[O-:60].[Cl:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH2:17][N:18]([CH3:19])[CH:20]([CH3:21])[CH3:22])[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1.[Na+:61].[Na+:62]>>[c:2]1(-[c:33]2[c:28]([CH2:27][O:26][C:23]([CH3:24])=[O:25])[c:29]([N:43]3[C:44](=[O:56])[c:45]4[n:46]([c:47]5[c:52]([cH:53]4)[CH2:51][CH2:50][CH2:49][CH2:48]5)[CH2:54][CH2:55]3)[cH:30][cH:31][cH:32]2)[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH2:17][N:18]([CH3:19])[CH:20]([CH3:21])[CH3:22])[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1

Participants

5

Reactant 4

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 580438772-(2-(Acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-oneHCID 580441316-Chloro-4-(5-((isopropyl(methyl)amino)methyl)pyridin-2-ylamino)-2-methylpyridazin-3(2H)-one

Product 1

HCID 68096417HCID 68096417, compound

Sources & evidence

ORD record
ord-9a1bc34d94c4408bbcbea13251981cd4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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