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-carboxylic acid tert-butyl ester → [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

HRID 308480Notes

Reaction equation

HRID 308480 reaction equation
[C:47]([O:48][C:49](=[O:50])[N:54]1[CH:55]([c:59]2[nH:60][c:61](-[c:64]3[cH:65][cH:66][c:67](-[c:70]4[cH:71][cH:72][c:73](-[c:76]5[nH:77][c:78]([CH:81]6[N:82]([C:86]([CH:87]([CH2:88][CH2:89][O:90][CH2:91][C:92]([F:93])([F:94])[F:95])[NH:96][C:97](=[O:98])[O:99][CH3:100])=[O:101])[CH2:83][CH2:84][CH2:85]6)[n:79][cH:80]5)[cH:74][cH:75]4)[cH:68][cH:69]3)[cH:62][n:63]2)[CH2:56][CH2:57][CH2:58]1)([CH3:51])([CH3:52])[CH3:53].[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][NH:31]5)[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:46]>>[NH:54]1[CH:55]([c:59]2[nH:60][c:61](-[c:64]3[cH:65][cH:66][c:67](-[c:70]4[cH:71][cH:72][c:73](-[c:76]5[nH:77][c:78]([CH:81]6[N:82]([C:86]([CH:87]([CH2:88][CH2:89][O:90][CH2:91][C:92]([F:93])([F:94])[F:95])[NH:96][C:97](=[O:98])[O:99][CH3:100])=[O:101])[CH2:83][CH2:84][CH2:85]6)[n:79][cH:80]5)[cH:74][cH:75]4)[cH:68][cH:69]3)[cH:62][n:63]2)[CH2:56][CH2:57][CH2:58]1

Participants

3

Reactant 2

HCID 666211072-{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-carboxylic acid tert-butyl esterHCID 66621118[4,4,4-Trifluoro-1-(2-{5-[4'-(2-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 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 ester

Sources & evidence

ORD record
ord-132fd5b88f7a4d4c9baf57ac1f07fd52
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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