Hydrochloric Acid → 2-{4-(2-(Azetidin-1-yl)-6-({(2-(4-chlorophenyl)-1,3-thiazol-4-yl)methyl}sulfanyl)-3,5-dicyanopyridin-4-yl)phenoxy}ethyl N-(tert-butoxycarbonyl)-beta-alaninate

HRID 1546369Notes

Reaction equation

HRID 1546369 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][C:11](=[O:12])[OH:13].[CH3:15][N:16]([CH3:17])[CH2:18][CH2:19][CH2:20][N:21]=[C:22]=[N:23][CH2:24][CH3:25].[CH3:72][N:73]([CH3:74])[c:75]1[cH:76][cH:77][n:78][cH:79][cH:80]1.[Cl:69][CH2:70][Cl:71].[ClH:14].[N:26]1([c:30]2[n:31][c:32]([S:50][CH2:51][c:52]3[n:53][c:54](-[c:57]4[cH:58][cH:59][c:60]([Cl:63])[cH:61][cH:62]4)[s:55][cH:56]3)[c:33]([C:48]#[N:49])[c:34](-[c:38]3[cH:39][cH:40][c:41]([O:44][CH2:45][CH2:46][OH:47])[cH:42][cH:43]3)[c:35]2[C:36]#[N:37])[CH2:27][CH2:28][CH2:29]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][C:11](=[O:12])[O:13][CH2:46][CH2:45][O:44][c:41]1[cH:40][cH:39][c:38](-[c:34]2[c:33]([C:48]#[N:49])[c:32]([S:50][CH2:51][c:52]3[n:53][c:54](-[c:57]4[cH:58][cH:59][c:60]([Cl:63])[cH:61][cH:62]4)[s:55][cH:56]3)[n:31][c:30]([N:26]3[CH2:27][CH2:28][CH2:29]3)[c:35]2[C:36]#[N:37])[cH:43][cH:42]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 76809N-((1,1-dimethylethoxy)carbonyl)-beta-alanineHCID 468530232-(Azetidin-1-yl)-6-({(2-(4-chlorophenyl)-1,3-thiazol-4-yl)methyl}sulfanyl)-4-(4-(2-hydroxyethoxy)phenyl)pyridine-3,5-dicarbonitrile

Product 1

HCID 687657592-{4-(2-(Azetidin-1-yl)-6-({(2-(4-chlorophenyl)-1,3-thiazol-4-yl)methyl}sulfanyl)-3,5-dicyanopyridin-4-yl)phenoxy}ethyl N-(tert-butoxycarbonyl)-beta-alaninate

Sources & evidence

ORD record
ord-8f0791183b21438a9f51e7e839486297
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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