Hydrochloric Acid → HCID 57272678, compound

HRID 203382Notes

Reaction equation

HRID 203382 reaction equation
[CH3:16][N:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH:25]([C:26](=[O:27])[OH:28])[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[CH3:59][N:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH3:72][CH2:73][O:74][C:75]([CH3:76])=[O:77].[ClH:36].[F:1][c:2]1[cH:3][cH:4][c:5]([O:14][CH3:15])[c:6]([CH:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:7]1.[OH2:48].[OH2:71].[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:14][CH3:15])[c:6]([CH:8]2[CH2:9][CH2:10][N:11]([C:26]([CH:25]([N:17]([CH3:16])[C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)=[O:27])[CH2:12][CH2:13]2)[cH:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962Water2×HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 52406092-{[(Tert-butoxy)carbonyl](methyl)amino}-3-phenylpropanoic acidHCID 155128224-(5-Fluoro-2-methoxyphenyl)piperidine

Product 1

HCID 57272678HCID 57272678, compound

Sources & evidence

ORD record
ord-639b9bb7c71e4e62884652134d991fd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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