Bicarbonate Ion → 2-(4-amino-3-{1-[(3-methylphenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethanol

HRID 110790Notes

Reaction equation

HRID 110790 reaction equation
[C:43](=[O:44])([OH:45])[O-:46].[CH3:15][c:16]1[cH:17][c:18]([CH2:22][C:23](=[O:24])[N:25]2[CH2:26][CH2:27][c:28]3[cH:29][c:30]([B:34]4[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]4)[cH:31][cH:32][c:33]32)[cH:19][cH:20][cH:21]1.[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:12][CH2:13][OH:14])[n:9][c:10]2[I:11].[Na+:47].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:54]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:12][CH2:13][OH:14])[n:9][c:10]2-[c:30]1[cH:29][c:28]2[c:33]([cH:32][cH:31]1)[N:25]([C:23]([CH2:22][c:18]1[cH:17][c:16]([CH3:15])[cH:21][cH:20][cH:19]1)=[O:24])[CH2:26][CH2:27]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 312751,4-DioxaneHCID 22346783HCID 22346783, compoundHCID 668241231-[(3-methylphenyl)acetyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole

Product 1

HCID 668236622-(4-amino-3-{1-[(3-methylphenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethanol

Sources & evidence

ORD record
ord-aea3451d7b484db99cb3b2b9a651ca3f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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