Hydrochloric Acid → 6-(5-[1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl]-1H-pyrrol-2-yl)-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide

HRID 1116540Notes

Reaction equation

HRID 1116540 reaction equation
[CH3:42][N:43]([CH3:44])[CH2:45][CH2:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH3:52].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24](-[c:26]4[cH:27][cH:28][c:29]([C:32](=[O:33])[OH:34])[cH:30][n:31]4)[nH:25]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1.[ClH:41].[NH2:35][CH2:36][C:37]([CH3:38])([OH:39])[CH3:40].[OH2:68].[OH:53][n:54]1[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24](-[c:26]4[cH:27][cH:28][c:29]([C:32](=[O:34])[NH:35][CH2:36][C:37]([CH3:38])([OH:39])[CH3:40])[cH:30][n:31]4)[nH:25]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 951022-Propanol, 1-amino-2-methyl-HCID 593316146-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)pyridine-3-carboxylic acid

Product 1

HCID 593316176-(5-[1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl]-1H-pyrrol-2-yl)-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide

Sources & evidence

ORD record
ord-6a7eb789ee644e0f94a6bb9857269ccc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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