Hydrochloric Acid → N-[6-(3-Hydroxyazetidin-1-yl)pyridin-3-yl]-6-trimethylsilyl-1-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide

HRID 287513Notes

Reaction equation

HRID 287513 reaction equation
[CH3:23][Si:24]([c:25]1[cH:26][cH:27][c:28]2[cH:29][c:30]([C:42](=[O:43])[OH:44])[n:31]([CH2:34][c:35]3[cH:36][c:37]([F:41])[cH:38][cH:39][cH:40]3)[c:32]2[cH:33]1)([CH3:45])[CH3:46].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[ClH:1].[NH2:47][c:48]1[cH:49][n:50][c:51]([N:54]2[CH2:55][CH:56]([OH:58])[CH2:57]2)[cH:52][cH:53]1.[Na+:63].[O-:59][C:60]([OH:61])=[O:62].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:13][n:14]1[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[CH3:23][Si:24]([c:25]1[cH:26][cH:27][c:28]2[cH:29][c:30]([C:42](=[O:43])[NH:47][c:48]3[cH:49][n:50][c:51]([N:54]4[CH2:55][CH:56]([OH:58])[CH2:57]4)[cH:52][cH:53]3)[n:31]([CH2:34][c:35]3[cH:36][c:37]([F:41])[cH:38][cH:39][cH:40]3)[c:32]2[cH:33]1)([CH3:45])[CH3:46]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 574315251-(5-Aminopyridin-2-yl)azetidin-3-olHCID 581009486-trimethylsilyl-1-[(3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid

Product 1

HCID 44194379N-[6-(3-Hydroxyazetidin-1-yl)pyridin-3-yl]-6-trimethylsilyl-1-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide

Sources & evidence

ORD record
ord-30ee4953ad854a0c852542e7476270e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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