Hydrochloric Acid → Biphenyl-2-ylcarbamic Acid 1-(2-{[3-(4-Hydroxymethyl-2,5-dimethylphenylcarbamoyl)propyl]methylcarbamoyl}ethyl)piperidin-4-yl Ester
Reaction equation
[C:68]([O-:69])(=[O:70])[OH:71].[CH3:57][N:58]([CH3:59])[CH2:60][CH2:61][CH2:62][N:63]=[C:64]=[N:65][CH2:66][CH3:67].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:73][CH2:74][Cl:75].[ClH:56].[NH2:36][c:37]1[cH:38][c:39]([CH3:46])[c:40]([CH2:44][OH:45])[cH:41][c:42]1[CH3:43].[Na+:72].[c:1]1(-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:2]([NH:7][C:8](=[O:9])[O:10][CH:11]2[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][C:19](=[O:20])[N:21]([CH2:22][CH2:23][CH2:24][CH2:25][C:26]([OH:27])=[O:28])[CH3:29])[CH2:15][CH2:16]2)[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:2]([NH:7][C:8](=[O:9])[O:10][CH:11]2[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][C:19](=[O:20])[N:21]([CH2:22][CH2:23][CH2:24][C:25]([NH:36][c:37]3[cH:38][c:39]([CH3:46])[c:40]([CH2:44][OH:45])[cH:41][c:42]3[CH3:43])=[O:69])[CH3:29])[CH2:15][CH2:16]2)[cH:3][cH:4][cH:5][cH:6]1Participants
9
Reactant 8
HCID 313Hydrochloric Acid
HCID 769Bicarbonate Ion
HCID 923Sodium ion
HCID 6344Dichloromethane
HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
HCID 81531Diisopropylethylamine
HCID 66770156(4-Amino-2,5-dimethylphenyl)methanol
HCID 667703095-({3-[4-(Biphenyl-2-ylcarbamoyloxy)piperidin-1-yl]propionyl}-methylamino)pentanoic acidProduct 1
Sources & evidence
- ORD record
- ord-3d878ef59c034877ad9a19cb56f7d850
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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