Hydrochloric Acid → 2-(4-{[(4-Bromo-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)-6-chloroisonicotinamide

HRID 2338758Notes

Reaction equation

HRID 2338758 reaction equation
[Br:25][c:26]1[cH:27][c:28]([C:32]([O:33][c:34]2[c:35]([F:36])[c:37]([F:38])[c:39]([F:40])[c:41]([F:42])[c:43]2[F:44])=[O:45])[nH:29][c:30]1[CH3:31].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[ClH:55].[ClH:73].[NH2:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([N:11]2[CH2:12][CH2:13][CH:14]([NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:15][CH2:16]2)[n:7][c:8]([Cl:10])[cH:9]1.[NH2:56][CH:57]1[CH2:58][CH2:59][N:60]([c:61]2[cH:62][c:63]([C:68]([NH2:69])=[O:70])[cH:64][c:65]([Cl:66])[n:67]2)[CH2:71][CH2:72]1.[O:74]1[CH2:75][CH2:76][O:77][CH2:78][CH2:79]1>>[NH2:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([N:11]2[CH2:12][CH2:13][CH:14]([NH:17][C:18](=[O:24])[c:28]3[cH:27][c:26]([Br:25])[c:30]([CH3:31])[nH:29]3)[CH2:15][CH2:16]2)[n:7][c:8]([Cl:10])[cH:9]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 86608240tert-Butyl 1-[4-(aminocarbonyl)-6-chloropyridin-2-yl]piperidin-4-ylcarbamateHCID 86608241Pentafluorophenyl 4-bromo-5-methyl-1H-pyrrole-2-carboxylateHCID 866082562-(4-Aminopiperidin-1-yl)-6-chloropyridine-4-carboxamide

Product 1

HCID 114193192-(4-{[(4-Bromo-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)-6-chloroisonicotinamide

Sources & evidence

ORD record
ord-77245c03703c4bb6a62a47e388529e78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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