Hydrochloric Acid → 6-[(1-methyl-1H-pyrazol-5-yl)amino]-1'-{[2-phenyl-6-(tetrazol-5-yl)pyridin-4-yl]carbonyl}spiro[chroman-2,4'-piperidin]-4-one

HRID 194730Notes

Reaction equation

HRID 194730 reaction equation
[CH3:2][n:3]1[n:4][cH:5][cH:6][c:7]1[NH:8][c:9]1[cH:10][c:11]2[c:16]([cH:17][cH:18]1)[O:15][C:14]1([CH2:13][C:12]2=[O:24])[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1.[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[CH3:74][CH2:75][N:76]([CH2:77][CH3:78])[CH2:79][CH3:80].[ClH:1].[ClH:36].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:25].[OH2:68].[OH:26][n:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1.[c:48]1(-[c:54]2[cH:55][c:56]([C:57](=[O:58])[OH:59])[cH:60][c:61](-[c:63]3[n:64][n:65][n:66][nH:67]3)[n:62]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH3:2][n:3]1[n:4][cH:5][cH:6][c:7]1[NH:8][c:9]1[cH:10][c:11]2[c:16]([cH:17][cH:18]1)[O:15][C:14]1([CH2:13][C:12]2=[O:24])[CH2:19][CH2:20][N:21]([C:57]([c:56]2[cH:55][c:54](-[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[n:62][c:61](-[c:63]3[n:64][n:65][n:66][nH:67]3)[cH:60]2)=[O:58])[CH2:22][CH2:23]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962Water2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 579309746-[(2-methylpyrazol-3-yl)amino]spiro[3H-chromene-2,4'-piperidine]-4-oneHCID 1785241162-Phenyl-6-(tetrazol-5-yl)-isonicotinic acid

Product 1

HCID 1784818106-[(1-methyl-1H-pyrazol-5-yl)amino]-1'-{[2-phenyl-6-(tetrazol-5-yl)pyridin-4-yl]carbonyl}spiro[chroman-2,4'-piperidin]-4-one

Sources & evidence

ORD record
ord-eb3e954b5a6f4066980cab686015b4a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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