Hydrochloric Acid → 2-[4-[2-[[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3,5-dicyano-6-pyrrolidin-1-yl-4-pyridinyl]phenoxy]ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[C:14](=[O:15])[OH:16].[CH3:18][N:19]([CH3:20])[CH2:21][CH2:22][CH2:23][N:24]=[C:25]=[N:26][CH2:27][CH3:28].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:49][c:50]1[cH:51][cH:52][c:53](-[c:56]2[s:57][cH:58][c:59]([CH2:61][S:62][c:63]3[n:64][c:65]([N:83]4[CH2:84][CH2:85][CH2:86][CH2:87]4)[c:66]([C:81]#[N:82])[c:67](-[c:71]4[cH:72][cH:73][c:74]([O:77][CH2:78][CH2:79][OH:80])[cH:75][cH:76]4)[c:68]3[C:69]#[N:70])[n:60]2)[cH:54][cH:55]1.[ClH:17].[O:88]=[CH:89][N:90]([CH3:91])[CH3:92].[OH2:29].[OH2:93].[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[C:14](=[O:15])[O:16][CH2:79][CH2:78][O:77][c:74]1[cH:73][cH:72][c:71](-[c:67]2[c:66]([C:81]#[N:82])[c:65]([N:83]3[CH2:84][CH2:85][CH2:86][CH2:87]3)[n:64][c:63]([S:62][CH2:61][c:59]3[cH:58][s:57][c:56](-[c:53]4[cH:52][cH:51][c:50]([Cl:49])[cH:55][cH:54]4)[n:60]3)[c:68]2[C:69]#[N:70])[cH:76][cH:75]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-d25a85f634044bdab406680c10cfb8d5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…