Hydrochloric Acid → HCID 178493025, compound

HRID 1206972Notes

Reaction equation

[CH3:35][CH2:36][OH:37].[Cl:1][c:2]1[cH:3][c:4]([F:31])[c:5]([N:10]2[CH2:11][CH:12]([CH3:30])[N:13]([C:16]([CH2:17][n:18]3[n:19][c:20]([C:27]#[N:28])[c:21]4[c:22]3[n:23][cH:24][cH:25][cH:26]4)=[O:29])[CH2:14][CH2:15]2)[cH:6][c:7]1[O:8][CH3:9].[ClH:34].[NH2:32][OH:33]>>[Cl:1][c:2]1[cH:3][c:4]([F:31])[c:5]([N:10]2[CH2:11][CH:12]([CH3:30])[N:13]([C:16]([CH2:17][n:18]3[n:19][c:20]([C:27](=[NH:28])[NH:32][OH:33])[c:21]4[c:22]3[n:23][cH:24][cH:25][cH:26]4)=[O:29])[CH2:14][CH2:15]2)[cH:6][c:7]1[O:8][CH3:9]

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 702Ethanol

HCID 787Hydroxylamine

HCID 671036431-[2-[4-(4-Chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile

Product 1

HCID 178493025HCID 178493025, compound

Sources & evidence

ORD record: ord-dc4695df588949c397cf95a811e656ec
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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