[1-(2-{5-[4'-(2-Pyrrolidin-2-yl-3H-imidazol-4-yl)-biphenyl-4-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-3-(2,2,2-trifluoroethoxy)-propyl]-carbamic acid methyl ester → [1-(2-{5-[4'-(2-{1-[2-Methoxycarbonylamino-4-(2,2,2-trifluoro-ethoxy)-butyryl]-pyrrolidin-2-yl}-3H-imidazol-4-yl)-biphenyl-4-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester

HRID 288060Notes

Reaction equation

HRID 288060 reaction equation
[CH3:1][O:2][C:3](=[O:4])[NH:5][CH:6]([C:7]([N:8]1[CH2:9][CH2:10][CH2:11][CH:12]1[c:13]1[nH:14][c:15](-[c:16]2[cH:17][cH:18][c:19](-[c:20]3[cH:21][cH:22][c:23](-[c:24]4[nH:25][c:26]([CH:27]5[CH2:28][CH2:29][CH2:30][N:31]5[C:46]([CH:47]([CH:48]([CH3:49])[CH3:50])[NH:51][C:52](=[O:53])[O:54][CH3:55])=[O:56])[n:32][cH:33]4)[cH:34][cH:35]3)[cH:36][cH:37]2)[cH:38][n:39]1)=[O:40])[CH2:41][CH2:42][C:43]([F:44])([F:45])[F:57].[CH3:58][O:59][C:60]([NH:61][CH:62]([CH2:63][CH2:64][O:65][CH2:66][C:67]([F:68])([F:69])[F:70])[C:71](=[O:72])[N:73]1[CH:74]([c:78]2[nH:79][c:80](-[c:83]3[cH:84][cH:85][c:86](-[c:89]4[cH:90][cH:91][c:92](-[c:95]5[nH:96][c:97]([CH:100]6[NH:101][CH2:102][CH2:103][CH2:104]6)[n:98][cH:99]5)[cH:93][cH:94]4)[cH:87][cH:88]3)[cH:81][n:82]2)[CH2:75][CH2:76][CH2:77]1)=[O:105]>>[C:46]([CH:47]([CH:48]([CH3:49])[CH3:50])[NH:51][C:52](=[O:53])[O:54][CH3:55])(=[O:56])[N:101]1[CH:100]([c:97]2[nH:96][c:95](-[c:92]3[cH:91][cH:90][c:89](-[c:86]4[cH:85][cH:84][c:83](-[c:80]5[nH:79][c:78]([CH:74]6[N:73]([C:71]([CH:62]([NH:61][C:60]([O:59][CH3:58])=[O:105])[CH2:63][CH2:64][O:65][CH2:66][C:67]([F:68])([F:69])[F:70])=[O:72])[CH2:77][CH2:76][CH2:75]6)[n:82][cH:81]5)[cH:88][cH:87]4)[cH:94][cH:93]3)[cH:99][n:98]2)[CH2:104][CH2:103][CH2:102]1

Participants

3

Reactant 2

HCID 66620507[1-(2-{5-[4'-(2-Pyrrolidin-2-yl-3H-imidazol-4-yl)-biphenyl-4-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-3-(2,2,2-trifluoroethoxy)-propyl]-carbamic acid methyl esterHCID 66621108(4,4,4-Trifluoro-1-{2-[5-(4'-{2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl]-biphenyl-4-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-butyl)-carbamic acid methyl ester

Product 1

HCID 66620448[1-(2-{5-[4'-(2-{1-[2-Methoxycarbonylamino-4-(2,2,2-trifluoro-ethoxy)-butyryl]-pyrrolidin-2-yl}-3H-imidazol-4-yl)-biphenyl-4-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester

Sources & evidence

ORD record
ord-84231ed15c5f4c998cec23e178cb80f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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