5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid → 2-(4-{4-[5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-4-yl)-pentanoylamino]-phenyl}-thiazol-2-ylcarbamoyl)-pyrrolidine-1-carboxylic acid benzyl ester

HRID 1125339Notes

Reaction equation

HRID 1125339 reaction equation
[CH2:50]([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[O:57][C:58](=[O:59])[N:60]1[CH:61]([C:65]([NH:66][c:67]2[s:68][cH:69][c:70](-[c:72]3[cH:73][cH:74][c:75]([NH2:78])[cH:76][cH:77]3)[n:71]2)=[O:79])[CH2:62][CH2:63][CH2:64]1.[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[CH:1]12[CH2:2][S:3][CH:4]([CH2:5][CH2:6][CH2:7][CH2:8][C:9]([OH:10])=[O:11])[CH:12]1[NH:13][C:14](=[O:15])[NH:16]2.[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH:1]12[CH2:2][S:3][CH:4]([CH2:5][CH2:6][CH2:7][CH2:8][C:9](=[O:11])[NH:78][c:75]3[cH:74][cH:73][c:72](-[c:70]4[cH:69][s:68][c:67]([NH:66][C:65]([CH:61]5[N:60]([C:58]([O:57][CH2:50][c:51]6[cH:52][cH:53][cH:54][cH:55][cH:56]6)=[O:59])[CH2:64][CH2:63][CH2:62]5)=[O:79])[n:71]4)[cH:77][cH:76]3)[CH:12]1[NH:13][C:14](=[O:15])[NH:16]2

Participants

7

Reactant 6

HCID 2535-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57849733Benzyl 2-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Product 1

HCID 765827882-(4-{4-[5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-4-yl)-pentanoylamino]-phenyl}-thiazol-2-ylcarbamoyl)-pyrrolidine-1-carboxylic acid benzyl ester

Sources & evidence

ORD record
ord-e0f705501b3f4fdea76d12db94bf983c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…