Hydrochloric Acid → Methyl 2-[[5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]-4-(dimethylamino)butanoate

HRID 306199Notes

Reaction equation

HRID 306199 reaction equation
[CH3:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[Cl:67][CH:68]([Cl:69])[CH3:70].[Cl:71][CH2:72][Cl:73].[ClH:47].[ClH:48].[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]3[cH:8][n:9][n:10]([CH2:17][CH:18]([CH3:19])[CH3:20])[c:11]3[cH:12][c:13]2[C:14](=[O:15])[OH:16])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[NH2:49][CH:50]([C:51](=[O:52])[O:53][CH3:54])[CH2:55][CH2:56][N:57]([CH3:58])[CH3:59].[OH:26][n:27]1[c:28]2[c:29]([cH:30][cH:31][cH:32][cH:33]2)[n:34][n:35]1>>[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]3[cH:8][n:9][n:10]([CH2:17][CH:18]([CH3:19])[CH3:20])[c:11]3[cH:12][c:13]2[C:14](=[O:15])[NH:49][CH:50]([C:51](=[O:52])[O:53][CH3:54])[CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[cH:21][cH:22][c:23]([F:25])[cH:24]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 63651,1-DichloroethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 574187635-(2,4-Difluorophenoxy)-1-isobutyl-1H-indazole-6-carboxylic acidHCID 57418768HCID 57418768, compound

Product 1

HCID 57737280Methyl 2-[[5-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]-4-(dimethylamino)butanoate

Sources & evidence

ORD record
ord-a5ee2d8cb7b9479fb89782c4ec4ec5b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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