Hydrochloric Acid → HCID 178465483, compound

HRID 190655Notes

Reaction equation

HRID 190655 reaction equation
[C:39]([CH3:40])([CH3:41])([CH3:42])[O:43][C:44](=[O:45])[NH:46][CH:47]([CH3:48])[C:49](=[O:50])[OH:51].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:58][N:59]([CH3:60])[CH2:61][CH2:62][CH2:63][N:64]=[C:65]=[N:66][CH2:67][CH3:68].[CH3:69][N:70]([CH3:71])[c:72]1[cH:73][cH:74][n:75][cH:76][cH:77]1.[ClH:57].[N:1]1([c:5]2[n:6][c:7]([S:25][CH2:26][c:27]3[n:28][c:29](-[c:32]4[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]4)[s:30][cH:31]3)[c:8]([C:23]#[N:24])[c:9](-[c:13]3[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][OH:22])[cH:17][cH:18]3)[c:10]2[C:11]#[N:12])[CH2:2][CH2:3][CH2:4]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82]>>[N:1]1([c:5]2[n:6][c:7]([S:25][CH2:26][c:27]3[n:28][c:29](-[c:32]4[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]4)[s:30][cH:31]3)[c:8]([C:23]#[N:24])[c:9](-[c:13]3[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][O:22][C:49]([CH:47]([NH:46][C:44]([O:43][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:45])[CH3:48])=[O:50])[cH:17][cH:18]3)[c:10]2[C:11]#[N:12])[CH2:2][CH2:3][CH2:4]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 2684712-N-Boc-aminopropionic acidHCID 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 178465483HCID 178465483, compound

Sources & evidence

ORD record
ord-4b87204b1299497da9f082a1225d12fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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