Hydrochloric Acid → tert-butyl 4{[(1H-indazol-5-ylmethyl)amino]carbonyl}-1-piperidinecarboxylate

HRID 297381Notes

Reaction equation

HRID 297381 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][CH:22]([C:25](=[O:26])[OH:27])[CH2:23][CH2:24]1.[CH2:29]([N:30]=[C:31]=[N:32][CH2:33][CH2:34][CH2:35][N:36]([CH3:37])[CH3:38])[CH3:39].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[ClH:28].[Na+:50].[OH2:60].[OH:40][c:41]1[c:42]2[n:43][n:44][nH:45][c:46]2[cH:47][cH:48][cH:49]1.[OH:51][C:52](=[O:53])[O-:54].[nH:1]1[n:2][cH:3][c:4]2[cH:5][c:6]([CH2:10][NH2:11])[cH:7][cH:8][c:9]12>>[nH:1]1[n:2][cH:3][c:4]2[cH:5][c:6]([CH2:10][NH:11][C:25]([CH:22]3[CH2:21][CH2:20][N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]3)=[O:26])[cH:7][cH:8][c:9]12

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 3928711-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acidHCID 120962235-(Aminomethyl)-1H-indazoleHCID 178418300HCID 178418300, compound

Product 1

HCID 18447544tert-butyl 4{[(1H-indazol-5-ylmethyl)amino]carbonyl}-1-piperidinecarboxylate

Sources & evidence

ORD record
ord-22c1860373854bb1bdbffa089207f10c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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