Sodium ion → 5-[Methyl(propan-2-yl)amino]-2-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid

HRID 302345Notes

Reaction equation

HRID 302345 reaction equation
[CH2:1]([O:2][C:3]([NH:4][CH:5]1[CH2:6][CH2:7][N:8]([CH:9]2[CH2:10][CH2:11][C:12](=[O:13])[CH2:14][CH:15]2[C:16]([O:17][CH2:18][CH3:19])=[O:20])[C:21]1=[O:22])=[O:23])[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][C:43](=[O:44])[NH:45][CH:46]1[C:47](=[O:67])[N:48]([CH:51]2[CH:52]([C:62](=[O:63])[O:64][CH2:65][CH3:66])[CH2:53][CH:54]([N:57]([CH3:58])[CH:59]([CH3:60])[CH3:61])[CH2:55][CH2:56]2)[CH2:49][CH2:50]1.[CH3:74][CH:75]([CH3:76])[O-:77].[CH3:78][CH:79]([CH3:80])[O-:81].[CH3:82][CH:83]([CH3:84])[O-:85].[CH3:86][CH:87]([CH3:88])[O-:89].[CH:30]([NH:31][CH3:32])([CH3:33])[CH3:34].[Cl:70][CH2:71][Cl:72].[Na+:69].[OH-:68].[Pt:73].[Ti+4:90]>>[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][C:43](=[O:44])[NH:45][CH:46]1[C:47](=[O:67])[N:48]([CH:51]2[CH:52]([C:62](=[O:63])[OH:64])[CH2:53][CH:54]([N:57]([CH3:58])[CH:59]([CH3:60])[CH3:61])[CH2:55][CH2:56]2)[CH2:49][CH2:50]1

Participants

10

Reactant 9

HCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 23939PlatinumHCID 78485N-MethylisopropylamineHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 21075011Ethyl 5-[methyl(propan-2-yl)amino]-2-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]cyclohexane-1-carboxylateHCID 178469307HCID 178469307, compound

Product 1

HCID 687649775-[Methyl(propan-2-yl)amino]-2-[2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid

Sources & evidence

ORD record
ord-729fdc7e7c5841babfbf7e329ff6f045
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…