Bicarbonate Ion → HCID 178424317, compound

HRID 146933Notes

Reaction equation

HRID 146933 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:20][N:21]([c:22]3[c:23]4[n:24][cH:25][n:26]([CH:31]5[CH2:32][CH2:33][CH2:34][CH2:35][O:36]5)[c:27]4[n:28][cH:29][n:30]3)[CH3:37])[n:9](-[c:13]3[c:14]([CH3:19])[cH:15][cH:16][cH:17][cH:18]3)[c:10](=[O:12])[c:11]12.[CH3:43][OH:44].[Na+:42].[O-:38][C:39]([OH:40])=[O:41]>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:20][N:21]([c:22]3[c:23]4[n:24][cH:25][nH:26][c:27]4[n:28][cH:29][n:30]3)[CH3:37])[n:9](-[c:13]3[c:14]([CH3:19])[cH:15][cH:16][cH:17][cH:18]3)[c:10](=[O:12])[c:11]12

Participants

5

Reactant 4

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 580085708-Methyl-3-((methyl(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)amino)methyl)-2-o-tolylisoquinolin-1(2H)-one

Product 1

HCID 178424317HCID 178424317, compound

Sources & evidence

ORD record
ord-8aa724bd693e48ed976add41131ccdf3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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