Hydrochloric Acid → 5-{1'-[(1-Cyclopropyl-4-methoxy-1H-indol-6-yl)carbonyl]-4-oxospiro[chroman-2,4'-piperidin]-6-yl}nicotinic acid

HRID 149906Notes

Reaction equation

HRID 149906 reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH:8]1([n:11]2[cH:12][cH:13][c:14]3[c:15]([O:23][CH3:24])[cH:16][c:17]([C:20](=[O:21])[OH:22])[cH:18][c:19]23)[CH2:9][CH2:10]1.[ClH:25].[ClH:51].[O:26]=[C:27]1[CH2:28][C:29]2([O:30][c:31]3[cH:32][cH:33][c:34](-[c:37]4[cH:38][n:39][cH:40][c:41]([C:42](=[O:43])[OH:44])[cH:45]4)[cH:35][c:36]31)[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:57]>>[CH:8]1([n:11]2[cH:12][cH:13][c:14]3[c:15]([O:23][CH3:24])[cH:16][c:17]([C:20](=[O:22])[N:48]4[CH2:47][CH2:46][C:29]5([CH2:28][C:27](=[O:26])[c:36]6[c:31]([cH:32][cH:33][c:34](-[c:37]7[cH:38][n:39][cH:40][c:41]([C:42](=[O:43])[OH:44])[cH:45]7)[cH:35]6)[O:30]5)[CH2:50][CH2:49]4)[cH:18][c:19]23)[CH2:9][CH2:10]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 579308925-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)pyridine-3-carboxylic acidHCID 666494031-cyclopropyl-4-methoxy-1H-indole-6-carboxylic acid

Product 1

HCID 249636015-{1'-[(1-Cyclopropyl-4-methoxy-1H-indol-6-yl)carbonyl]-4-oxospiro[chroman-2,4'-piperidin]-6-yl}nicotinic acid

Sources & evidence

ORD record
ord-34d806d016474da6af3577aec47b2a1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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