Hydrochloric Acid → 1,1-Dimethylethyl 4-{4-[({[2-chloro-3-(trifluoromethyl)phenyl]methyl}amino)carbonyl]-3-methyl-2-oxo-1-imidazolidinyl}-1-piperidinecarboxylate

HRID 2141460Notes

Reaction equation

HRID 2141460 reaction equation
[CH2:48]([N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57])[CH3:58].[CH2:59]([N:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1)[CH3:66].[CH3:13][C:14]([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH:23]([N:26]2[C:27](=[O:35])[N:28]([CH3:34])[CH:29]([C:31](=[O:32])[OH:33])[CH2:30]2)[CH2:24][CH2:25]1.[CH3:1][N:2]1[CH2:3][CH:4]([C:5]([O:6][CH3:7])=[O:8])[N:9]([CH3:10])[C:11]1=[O:12].[Cl:67][c:68]1[c:69]([CH2:78][NH2:79])[cH:70][cH:71][cH:72][c:73]1[C:74]([F:75])([F:76])[F:77].[Cl:80][CH2:81][Cl:82].[ClH:47].[OH2:36].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH3:13][C:14]([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH:23]([N:26]2[C:27](=[O:35])[N:28]([CH3:34])[CH:29]([C:31](=[O:32])[NH:79][CH2:78][c:69]3[c:68]([Cl:67])[c:73]([C:74]([F:75])([F:76])[F:77])[cH:72][cH:71][cH:70]3)[CH2:30]2)[CH2:24][CH2:25]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 7525EthylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 52242072-Chloro-3-(trifluoromethyl)benzylamineHCID 671033891-(1-{[(1,1-Dimethylethyl)oxy]carbonyl}-4-piperidinyl)-3-methyl-2-oxo-4-imidazolidinecarboxylic acidHCID 67103404Methyl 1,3-dimethyl-2-oxo-4-imidazolidinecarboxylate

Product 1

HCID 671035531,1-Dimethylethyl 4-{4-[({[2-chloro-3-(trifluoromethyl)phenyl]methyl}amino)carbonyl]-3-methyl-2-oxo-1-imidazolidinyl}-1-piperidinecarboxylate

Sources & evidence

ORD record
ord-dd76b80187a94132bb453cd3047acd16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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