Acetic Acid → HCID 178489401, compound

HRID 296793Notes

Reaction equation

HRID 296793 reaction equation
[C:51](=[O:52])([OH:53])[O-:54].[CH3:1][N:2]([C:3](=[O:4])[c:5]1[c:6]([NH:36][C:37](=[O:38])[c:39]2[n:40][cH:41][n:42]([CH3:44])[cH:43]2)[cH:7][cH:8][c:9](-[c:11]2[cH:12][c:13]3[c:14]([n:15][cH:16]2)[n:17]([CH2:28][O:29][CH2:30][CH2:31][Si:32]([CH3:33])([CH3:34])[CH3:35])[n:18][c:19]3-[c:20]2[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]2)[cH:10]1)[CH3:45].[CH3:61][C:62](=[O:63])[OH:64].[Cl+3:46]([OH:47])([O-:48])([O-:49])[O-:50].[Na+:55].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1>>[CH3:1][N:2]([C:3](=[O:4])[c:5]1[c:6]([NH:36][C:37](=[O:38])[c:39]2[n:40][cH:41][n:42]([CH3:44])[cH:43]2)[cH:7][cH:8][c:9](-[c:11]2[cH:12][c:13]3[c:14]([n:15][cH:16]2)[nH:17][n:18][c:19]3-[c:20]2[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]2)[cH:10]1)[CH3:45]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 24247Perchloric AcidHCID 579758501-methyl-1H-imidazole-4-carboxylic acid {2-dimethylcarbamoyl-4-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-amide

Product 1

HCID 178489401HCID 178489401, compound

Sources & evidence

ORD record
ord-8847c830ce4c43819edde85bf2e570cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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