Acetic Acid → HCID 178489402, compound

HRID 1568123Notes

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid

HCID 962Water

HCID 24247Perchloric Acid

HCID 579758972-(2-bromo-acetylamino)-5-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethyl-benzamide

Product 1

HCID 178489402HCID 178489402, compound

Sources & evidence

ORD record: ord-2e73a94017ff40038324fedeb745b40b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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