Sodium ion → HCID 20817052, compound

HRID 136896Notes

Reaction equation

HRID 136896 reaction equation
[C:50](=[O:51])([O-:52])[O-:53].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([O:13][c:14]3[cH:15][cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21]3)[cH:22][cH:23]2)[O:24]1.[CH3:56][O:57][CH2:58][CH2:59][O:60][CH3:61].[I:25][c:26]1[n:27][n:28]([CH:36]2[CH2:37][CH2:38][CH:39]([N:42]3[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]3)[CH2:40][CH2:41]2)[c:29]2[n:30][cH:31][n:32][c:33]([NH2:35])[c:34]12.[Na+:54].[Na+:55].[OH2:49].[OH2:62]>>[c:9]1(-[c:26]2[n:27][n:28]([CH:36]3[CH2:37][CH2:38][CH:39]([N:42]4[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]4)[CH2:40][CH2:41]3)[c:29]3[n:30][cH:31][n:32][c:33]([NH2:35])[c:34]23)[cH:10][cH:11][c:12]([O:13][c:14]2[cH:15][cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21]2)[cH:22][cH:23]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962Water2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 208170473-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amineHCID 223468894-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]benzonitrile

Product 1

HCID 20817052HCID 20817052, compound

Sources & evidence

ORD record
ord-70603b1dff174b88a6b38bbcf414b11e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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