Acetic Acid → HCID 178491342, compound

HRID 682010Notes

Reaction equation

HRID 682010 reaction equation
[CH3:1][O:2][c:3]1[c:4](-[c:11]2[n:12][n:13]([CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:44])([CH3:45])[CH3:46])[c:14]3[n:15][cH:16][c:17](-[c:20]4[cH:21][c:22]([C:26](=[O:27])[N:28]5[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][N:36]([CH3:37])[CH3:38])[CH2:32][CH2:33]5)[cH:23][cH:24][cH:25]4)[cH:18][c:19]23)[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1.[CH3:54][C:55](=[O:56])[OH:57].[Cl+3:49]([OH:50])([O-:51])([O-:52])[O-:53].[Na+:48].[OH-:47]>>[CH3:1][O:2][c:3]1[c:4](-[c:11]2[n:12][nH:13][c:14]3[n:15][cH:16][c:17](-[c:20]4[cH:21][c:22]([C:26](=[O:27])[N:28]5[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][N:36]([CH3:37])[CH3:38])[CH2:32][CH2:33]5)[cH:23][cH:24][cH:25]4)[cH:18][c:19]23)[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 24247Perchloric AcidHCID 59836145(3-(3-(2,6-dimethoxyphenyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl)(4-(2-(dimethylamino)ethyl)piperazin-1-yl)methanone

Product 1

HCID 178491342HCID 178491342, compound

Sources & evidence

ORD record
ord-1ede2a52cf5f4834855895476516bce3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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