Hydrochloric Acid → 1,1-Dimethylethyl 2-[1-({8-chloro-7-[(2-fluoro-4-iodophenyl)amino]imidazo[1,2-a]pyridin-6-yl}carbonyl)-3-hydroxyazetidin-3-yl]piperidine-1-carboxylate

HRID 679880Notes

Reaction equation

HRID 679880 reaction equation
[CH3:42][N:43]([CH3:44])[CH2:45][CH2:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH3:52].[CH3:53][N:54]([CH3:55])[c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1.[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[Cl:1][c:2]1[c:3]2[n:4]([cH:5][c:6]([C:17](=[O:18])[OH:19])[c:7]1[NH:8][c:9]1[c:10]([F:16])[cH:11][c:12]([I:15])[cH:13][cH:14]1)[cH:20][cH:21][n:22]2.[ClH:41].[OH:23][C:24]1([CH:28]2[N:29]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:25][NH:26][CH2:27]1>>[Cl:1][c:2]1[c:3]2[n:4]([cH:5][c:6]([C:17](=[O:18])[N:26]3[CH2:25][C:24]([OH:23])([CH:28]4[N:29]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:30][CH2:31][CH2:32][CH2:33]4)[CH2:27]3)[c:7]1[NH:8][c:9]1[c:10]([F:16])[cH:11][c:12]([I:15])[cH:13][cH:14]1)[cH:20][cH:21][n:22]2

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 211115608-Chloro-7-[(2-fluoro-4-iodophenyl)amino]imidazo[1,2-a]pyridine-6-carboxylic acidHCID 66769979tert-Butyl 2-(3-hydroxyazetidin-3-yl)piperidine-1-carboxylate

Product 1

HCID 670517781,1-Dimethylethyl 2-[1-({8-chloro-7-[(2-fluoro-4-iodophenyl)amino]imidazo[1,2-a]pyridin-6-yl}carbonyl)-3-hydroxyazetidin-3-yl]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-f979490b82a94e4980b7b917a03f0989
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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