Hydrochloric Acid → HCID 20827627, compound

HRID 96532Notes

Reaction equation

HRID 96532 reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]([CH3:21])[CH:22]([C:23](=[O:24])[OH:25])[CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH2:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH:55]([CH3:56])[CH3:57])[CH3:58].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[Cl:64][CH2:65][Cl:66].[ClH:1].[F:44][C:45]([CH2:46][NH2:47])([F:48])[F:49].[OH2:33].[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]([CH3:21])[CH:22]([C:23](=[O:25])[NH:47][CH2:46][C:45]([F:44])([F:48])[F:49])[CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 9773Ethanamine, 2,2,2-trifluoro-HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 52406092-{[(Tert-butoxy)carbonyl](methyl)amino}-3-phenylpropanoic acid

Product 1

HCID 20827627HCID 20827627, compound

Sources & evidence

ORD record
ord-25737195105543d2a884d0099ae686c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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