Hydrochloric Acid → HCID 57073319, compound

HRID 2127275Notes

Reaction equation

HRID 2127275 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].[CH3:58][N:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[ClH:36].[F:1][c:2]1[cH:3][cH:4][c:5]([O:14][CH3:15])[c:6]([C:8]2=[CH:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:7]1.[OH2:70].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:14][CH3:15])[c:6]([C:8]2=[CH: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 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 52406092-{[(Tert-butoxy)carbonyl](methyl)amino}-3-phenylpropanoic acidHCID 18679661HCID 18679661, compound

Product 1

HCID 57073319HCID 57073319, compound

Sources & evidence

ORD record
ord-6e3f9fb50ee74a24b624a25da7abcc48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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