Formaldehyde → 7-(4-Bromo-2-chlorophenylamino)-8-chloro-3-piperidin-1-ylmethylimidazo[1,2-a]pyridine-6-carboxylic acid (2-hydroxyethoxy) amide

HRID 282786

Reaction equation

HRID 282786 reaction equation
[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[CH2:7]=[O:8].[CH3:36][C:37]#[N:38].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[OH2:9].[OH:10][CH2:11][CH2:12][O:13][NH:14][C:15](=[O:16])[c:17]1[c:18]([NH:27][c:28]2[c:29]([Cl:35])[cH:30][c:31]([Br:34])[cH:32][cH:33]2)[c:19]([Cl:26])[c:20]2[n:21]([cH:22]1)[cH:23][cH:24][n:25]2.[S:45]([O-:46])([C:47]([F:48])([F:49])[F:50])(=[O:51])=[O:52].[S:54]([O-:55])([C:56]([F:57])([F:58])[F:59])(=[O:60])=[O:61].[S:62]([O-:63])([C:64]([F:65])([F:66])[F:67])(=[O:68])=[O:69].[Sc+3:53]>>[CH2:1]1[CH2:2][CH2:3][N:4]([CH2:7][c:23]2[n:21]3[c:20]([c:19]([Cl:26])[c:18]([NH:27][c:28]4[c:29]([Cl:35])[cH:30][c:31]([Br:34])[cH:32][cH:33]4)[c:17]([C:15]([NH:14][O:13][CH2:12][CH2:11][OH:10])=[O:16])[cH:22]3)[n:25][cH:24]2)[CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 712FormaldehydeHCID 962WaterHCID 6342AcetonitrileHCID 8082PiperidineHCID 8857Ethyl AcetateHCID 2758875Trifluoromethanesulfonate3×HCID 4534583Scandium, ion (Sc3+)HCID 117195477-(4-Bromo-2-chlorophenylamino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylic acid (2-hydroxyethoxy)-amide

Product 1

HCID 116282497-(4-Bromo-2-chlorophenylamino)-8-chloro-3-piperidin-1-ylmethylimidazo[1,2-a]pyridine-6-carboxylic acid (2-hydroxyethoxy) amide

Sources & evidence

ORD record
ord-01c95781baa14719beee14a45f12246e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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