Hydrochloric Acid → 4-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(piperidin-1-yl)phenyl)-1H-pyrrole-2-carboxamide

HRID 145621Notes

Reaction equation

HRID 145621 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:8](=[O:9])[OH:10])[nH:6][cH:7]1.[C:62](=[O:63])([OH:64])[O-:65].[CH3:12][N:13]([CH3:14])[CH2:15][CH2:16][CH2:17][N:18]=[C:19]=[N:20][CH2:21][CH3:22].[CH3:33][N:34]1[CH2:35][CH2:36][N:37]([c:40]2[cH:41][c:42]([N:56]3[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]3)[c:43]([NH:46][C:47]([c:48]3[o:49][c:50]([C:51]#[N:52])[cH:53][cH:54]3)=[O:55])[cH:44][cH:45]2)[CH2:38][CH2:39]1.[Cl:67][CH2:68][Cl:69].[ClH:11].[Na+:66].[OH:23][c:24]1[c:25]2[n:26][n:27][nH:28][c:29]2[cH:30][cH:31][cH:32]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:8](=[O:10])[NH:46][c:43]2[c:42]([N:56]3[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]3)[cH:41][c:40]([N:37]3[CH2:36][CH2:35][N:34]([CH3:33])[CH2:39][CH2:38]3)[cH:45][cH:44]2)[nH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 115028715-Cyano-N-[4-(4-Methylpiperazin-1-Yl)-2-Piperidin-1-Ylphenyl]furan-2-CarboxamideHCID 118048114-cyano-1H-pyrrole-2-carboxylic acidHCID 178418300HCID 178418300, compound

Product 1

HCID 116897124-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(piperidin-1-yl)phenyl)-1H-pyrrole-2-carboxamide

Sources & evidence

ORD record
ord-0c14c08c0f6d4d8d8d0d97001f590d8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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