Hydrochloric Acid → HCID 66811536, compound

HRID 1233159Notes

Reaction equation

HRID 1233159 reaction equation
[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH:27]([C:38](=[O:39])[OH:40])[CH:28]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:29][CH2:30][CH2:31]1.[CH3:42][N:43]([CH3:44])[CH2:45][CH2:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH3:52].[CH3:75][CH2:76][O:77][C:78]([CH3:79])=[O:80].[ClH:41].[K+:68].[NH:1]([NH2:2])[C:3](=[O:4])[CH:5]1[CH2:6][N:7]([C:9](=[O:10])[O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:8]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[OH:53][n:54]1[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1.[S:63]([O-:64])([OH:65])(=[O:66])=[O:67]>>[NH:1]([NH:2][C:38]([CH:27]1[N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:31][CH2:30][CH2:29][CH:28]1[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[O:39])[C:3](=[O:4])[CH:5]1[CH2:6][N:7]([C:9](=[O:10])[O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:8]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 61778Sulfate, hydrogenHCID 181649HOAtHCID 450739411-(tert-Butoxycarbonyl)-3-phenylpiperidine-2-carboxylic acidHCID 56923840HCID 56923840, compound

Product 1

HCID 66811536HCID 66811536, compound

Sources & evidence

ORD record
ord-b262898b618b4cecada8b9832e440178
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…