Hydrochloric Acid → 1-(3-chloro-2-fluorobenzoyl)-4-((6-((1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-3-yl)amino)pyridin-2-yl)methyl)piperidin-4-ol

HRID 291723

Reaction equation

HRID 291723 reaction equation
[C:63](=[O:64])([OH:65])[O-:66].[CH3:1][Si:2]([CH2:3][CH2:4][O:5][CH2:6][n:7]1[n:8][c:9]([NH:12][c:13]2[cH:14][cH:15][cH:16][c:17]([CH2:19][C:20]3([OH:26])[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[n:18]2)[cH:10][cH:11]1)([CH3:27])[CH3:28].[CH3:52][N:53]([CH3:54])[CH2:55][CH2:56][CH2:57][N:58]=[C:59]=[N:60][CH2:61][CH3:62].[CH:68]([Cl:69])([Cl:70])[Cl:71].[Cl:29][c:30]1[c:31]([F:39])[c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37][cH:38]1.[ClH:51].[Na+:67].[OH2:40].[OH:41][c:42]1[c:43]2[n:44][n:45][nH:46][c:47]2[cH:48][cH:49][cH:50]1>>[CH3:1][Si:2]([CH2:3][CH2:4][O:5][CH2:6][n:7]1[n:8][c:9]([NH:12][c:13]2[cH:14][cH:15][cH:16][c:17]([CH2:19][C:20]3([OH:26])[CH2:21][CH2:22][N:23]([C:33]([c:32]4[c:31]([F:39])[c:30]([Cl:29])[cH:38][cH:37][cH:36]4)=[O:34])[CH2:24][CH2:25]3)[n:18]2)[cH:10][cH:11]1)([CH3:27])[CH3:28]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6212ChloroformHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 3029313-Chloro-2-fluorobenzoic acidHCID 668894454-((6-((1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-3-yl)amino)pyridin-2-yl)methyl)piperidin-4-olHCID 178418300HCID 178418300, compound

Product 1

HCID 668907351-(3-chloro-2-fluorobenzoyl)-4-((6-((1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-3-yl)amino)pyridin-2-yl)methyl)piperidin-4-ol

Sources & evidence

ORD record
ord-97ddfe3d21e24bc49fb2eab865a5a793
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

Loading…