Hydrochloric Acid → HCID 69027928, compound

HRID 2337199Notes

Reaction equation

HRID 2337199 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16][c:17]1[cH:18][c:19]([CH:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[cH:20][cH:21][cH:22]1.[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[NH:36][c:37]1[cH:38][n:39][cH:40][c:41]([C:42](=[O:43])[OH:44])[cH:45]1.[CH3:57][N:58]([CH3:59])[CH2:60][CH2:61][CH2:62][N:63]=[C:64]=[N:65][CH2:66][CH3:67].[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[ClH:56].[OH:46][n:47]1[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1.[cH:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16][c:17]1[cH:18][c:19]([CH:23]2[CH2:24][CH2:25][N:26]([C:42]([c:41]3[cH:40][n:39][cH:38][c:37]([NH:36][C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])[cH:45]3)=[O:43])[CH2:27][CH2:28]2)[cH:20][cH:21][cH:22]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 181649HOAtHCID 222661545-[(tert-Butoxycarbonyl)amino]pyridine-3-carboxylic acidHCID 222661574-[3-(N,N-di-tert-butoxycarbonylaminomethyl)phenyl]piperidine

Product 1

HCID 69027928HCID 69027928, compound

Sources & evidence

ORD record
ord-c9d58160578b4335a7b3c9632f8cb900
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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