Methanol → Methoxycarbonylamino-(tetrahydropyran-4-ylidene)-acetic acid

HRID 1235254Notes

Reaction equation

HRID 1235254 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]3[c:20]([cH:21][cH:22][c:23](-[c:24]4[cH:25][cH:26][c:27](-[c:28]5[nH:29][c:30]([CH:31]6[CH2:32][CH2:33][CH2:34][N:35]6[C:36](=[O:37])[C:38]([NH:39][C:40]([O:41][CH3:42])=[O:43])=[C:44]6[CH2:45][CH2:46][O:47][CH2:48][CH2:49]6)[n:50][cH:51]5)[cH:52][cH:53]4)[cH:54]3)[cH:55]2)[cH:56][n:57]1)=[O:58])[CH:59]([CH3:60])[CH3:61].[CH3:62][O:63][C:64]([C:65](=[C:66]1[CH2:67][CH2:68][O:69][CH2:70][CH2:71]1)[NH:72][C:73](=[O:74])[O:75][CH3:76])=[O:77].[CH3:80][OH:81].[Li+:79].[OH-:78]>>[O:63]=[C:64]([C:65](=[C:66]1[CH2:67][CH2:68][O:69][CH2:70][CH2:71]1)[NH:72][C:73](=[O:74])[O:75][CH3:76])[OH:77]

Participants

6

Reactant 5

HCID 887MethanolHCID 961HydroxideHCID 28486Lithium ionHCID 59611496Methoxycarbonylamino-(tetrahydropyran-4-ylidene)-acetic acid methyl esterHCID 66620834(1-[2-(5-{6-[4-(2-{1-[2-methoxycarbonylamino-2-(tetrahydropyran-4-ylidene)-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

Product 1

HCID 59611013Methoxycarbonylamino-(tetrahydropyran-4-ylidene)-acetic acid

Sources & evidence

ORD record
ord-87d5973b4bf54fbbb67328dc33b1729b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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