Methyl (1-(2-(4-(4-bromophenyl)-1H-imidazol-2-YL)pyrrolidin-1-YL)-3-methyl-1-oxobutan-2-YL)carbamate → [1-(4-Cyano-2-{5-[4-(4-{2-[4,4-difluoro-1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenylethynyl)-phenyl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester

HRID 184143Notes

Reaction equation

HRID 184143 reaction equation
[CH3:118][O:119][C:120](=[O:121])[NH:122][CH:123]([C:124]([N:125]1[CH2:126][CH2:127][CH2:128][CH:129]1[c:130]1[nH:131][c:132](-[c:133]2[cH:134][cH:135][c:136]([C:137]#[CH:138])[cH:139][cH:140]2)[cH:141][n:142]1)=[O:143])[CH:144]([CH3:145])[CH3:146].[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:16]2[nH:17][c:18](-[c:21]3[cH:22][cH:23][c:24]([C:27]#[C:28][c:29]4[cH:30][cH:31][c:32](-[c:35]5[nH:36][c:37]([CH:40]6[N:41]([C:47]([CH:48]([CH:49]([CH3:50])[CH3:51])[NH:52][C:53](=[O:54])[O:55][CH3:56])=[O:57])[CH2:42][C:43]([F:45])([F:46])[CH2:44]6)[n:38][cH:39]5)[cH:33][cH:34]4)[cH:25][cH:26]3)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:58].[CH3:59][O:60][C:61]([NH:62][CH:64]([C:65]([N:66]1[CH2:67][CH2:68][CH2:69][CH:70]1[c:71]1[nH:72][c:73](-[c:74]2[cH:75][cH:76][c:77]([Br:78])[cH:79][cH:80]2)[cH:81][n:82]1)=[O:83])[CH:84]([CH3:85])[CH3:86])=[O:63].[CH3:87][O:88][C:89](=[O:90])[NH:91][CH:92]([C:93]([N:94]1[CH2:95][C:96]([F:97])([F:98])[CH2:99][CH:100]1[c:101]1[nH:102][c:103](-[c:104]2[cH:105][cH:106][c:107]([C:108]#[CH:109])[cH:110][cH:111]2)[cH:112][n:113]1)=[O:114])[CH:115]([CH3:116])[CH3:117]>>[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:16]2[nH:17][c:18](-[c:21]3[cH:22][cH:23][c:24]([C:27]#[C:28][c:29]4[cH:30][cH:31][c:32](-[c:35]5[nH:36][c:37]([CH:40]6[N:41]([C:47]([CH:48]([CH:49]([CH3:50])[CH3:51])[NH:52][C:53](=[O:54])[O:55][CH3:56])=[O:57])[CH2:42][C:43]([F:45])([F:46])[CH2:44]6)[n:38][cH:39]5)[cH:33][cH:34]4)[cH:25][cH:26]3)[cH:19][n:20]2)[CH2:13][CH:14]([C:61]#[N:62])[CH2:15]1)=[O:58]

Participants

5

Reactant 4

HCID 66620141Methyl (1-(2-(4-(4-bromophenyl)-1H-imidazol-2-YL)pyrrolidin-1-YL)-3-methyl-1-oxobutan-2-YL)carbamateHCID 66620753[1-(2-[5-[4-(4-{2-[4,4-Difluoro-1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl]-phenylethynyl)-phenyl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl esterHCID 72337950HCID 72337950, compoundHCID 72338228(1-{2-[4-(4-ethynyl-phenyl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

Product 1

HCID 66621182[1-(4-Cyano-2-{5-[4-(4-{2-[4,4-difluoro-1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenylethynyl)-phenyl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester

Sources & evidence

ORD record
ord-ced35d5892f1472a8a5dc2a9c0863edf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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