Potassium Cation → {1-[2-(5-{6-[4-(2-{1-[2-Methoxycarbonylamino-2-(2-methoxy-phenyl)-acetyl]-pyrrolidin-2-yl}-3H-imidazol-4-yl)-phenyl]-naphthalen-2-yl}-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester

HRID 166322Notes

Reaction equation

HRID 166322 reaction equation
[C:80]([C:81](=[N:82][O:83][C+:84]([N:85]([CH3:86])[CH3:87])[N:88]1[CH2:89][CH2:90][O:91][CH2:92][CH2:93]1)[C:94]([O:95][CH2:96][CH3:97])=[O:98])#[N:99].[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][c:23]4[cH:24][cH:25][c:26](-[c:31]5[cH:32][cH:33][c:34](-[c:37]6[nH:38][c:39]([CH:42]7[NH:43][CH2:44][CH2:45][CH2:46]7)[n:40][cH:41]6)[cH:35][cH:36]5)[cH:27][c:28]4[cH:29][cH:30]3)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:47].[CH3:48][O:49][C:50](=[O:51])[NH:52][CH:53]([C:54](=[O:55])[OH:56])[c:57]1[c:58]([O:63][CH3:64])[cH:59][cH:60][cH:61][cH:62]1.[Cl:100][CH2:101][Cl:102].[F:73][P-:74]([F:75])([F:76])([F:77])([F:78])[F:79].[K+:70].[K+:71].[K+:72].[P:65]([O-:66])([O-:67])([O-:68])=[O:69]>>[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][c:23]4[cH:24][cH:25][c:26](-[c:31]5[cH:32][cH:33][c:34](-[c:37]6[nH:38][c:39]([CH:42]7[N:43]([C:54]([CH:53]([NH:52][C:50]([O:49][CH3:48])=[O:51])[c:57]8[c:58]([O:63][CH3:64])[cH:59][cH:60][cH:61][cH:62]8)=[O:55])[CH2:44][CH2:45][CH2:46]7)[n:40][cH:41]6)[cH:35][cH:36]5)[cH:27][c:28]4[cH:29][cH:30]3)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:47]

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 66620477{2-Methyl-1-[2-(5-{6-[4-(2-pyrrolidin-2-yl-3H-imidazol-4-yl)-phenyl]-naphthalen-2-yl}-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl esterHCID 66620906Methoxycarbonylamino-(2-methoxy-phenyl)-acetic acidHCID 178472142HCID 178472142, compound

Product 1

HCID 66621409{1-[2-(5-{6-[4-(2-{1-[2-Methoxycarbonylamino-2-(2-methoxy-phenyl)-acetyl]-pyrrolidin-2-yl}-3H-imidazol-4-yl)-phenyl]-naphthalen-2-yl}-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester

Sources & evidence

ORD record
ord-e9b6dda10579468e844db55b45348aa2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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