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

HRID 1222640Notes

Reaction equation

HRID 1222640 reaction equation
[CH3:40][N:41]([CH3:42])[CH2:43][CH2:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH3:50].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[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.[CH:35]1([NH2:38])[CH2:36][CH2:37]1.[ClH:39].[OH2:66].[OH:51][n:52]1[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]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:38][CH:35]5[CH2:36][CH2:37]5)[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 69828CyclopropylamineHCID 757711-HydroxybenzotriazoleHCID 593316146-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)pyridine-3-carboxylic acid

Product 1

HCID 59331367N-cyclopropyl-6-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)pyridine-3-carboxamide

Sources & evidence

ORD record
ord-b0218529a34949d9afe9167d86466123
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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