2-(1-Ethoxycarbonyl-2-vinylcyclopropylcarbamoyl)-4-hydroxycyclopentanecarboxylic acid tert-butyl ester → 17-[2-(2-Cyclohexylthiazol-4-yl)-7-methoxy-8-methyl-quinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid ethyl ester
Reaction equation
[C:26]([O:27][C:28]([CH:29]1[CH2:30][CH:31]([OH:32])[CH2:33][CH:34]1[C:35](=[O:36])[NH:37][C:38]1([C:39]([O:40][CH2:41][CH3:42])=[O:43])[CH2:44][CH:45]1[CH:46]=[CH2:47])=[O:48])([CH3:49])([CH3:50])[CH3:51].[CH2:52]([CH3:53])[O:54][C:55](=[O:56])[C:57]12[NH:58][C:59](=[O:98])[CH:60]3[CH2:61][CH:62]([O:77][c:78]4[c:79]5[c:80]([c:81]([CH3:82])[c:83]([O:84][CH3:85])[cH:86][cH:87]5)[n:88][c:89](-[c:90]5[cH:91][cH:92][cH:93][c:94]([CH3:95])[n:96]5)[cH:97]4)[CH2:63][CH:64]3[C:65](=[O:76])[N:66]([CH3:75])[CH2:67][CH2:68][CH2:69][CH2:70][CH:71]=[CH:72][CH:73]1[CH2:74]2.[CH:1]1([c:7]2[s:8][cH:9][c:10](-[c:12]3[n:13][c:14]4[c:15]([CH3:25])[c:16]([O:23][CH3:24])[cH:17][cH:18][c:19]4[c:20]([OH:22])[cH:21]3)[n:11]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH:1]1([c:7]2[s:8][cH:9][c:10](-[c:12]3[n:13][c:14]4[c:15]([CH3:25])[c:16]([O:23][CH3:24])[cH:17][cH:18][c:19]4[c:20]([O:22][CH:62]4[CH2:61][CH:60]5[C:59](=[O:98])[NH:58][C:57]6([C:55]([O:54][CH2:52][CH3:53])=[O:56])[CH:73]([CH:72]=[CH:71][CH2:70][CH2:69][CH2:68][CH2:67][N:66]([CH3:75])[C:65](=[O:76])[CH:64]5[CH2:63]4)[CH2:74]6)[cH:21]3)[n:11]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
4
Reactant 3
HCID 668714182-(1-Ethoxycarbonyl-2-vinylcyclopropylcarbamoyl)-4-hydroxycyclopentanecarboxylic acid tert-butyl ester
HCID 6687158517-[2-(6-Methylpyridin-2-yl)-7-methoxy-8-methyl-quinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diaza-tricyclo-[13.3.0.04,6]octadec-7-ene-4-carboxylic acid ethyl ester
HCID 178487683HCID 178487683, compoundProduct 1
Sources & evidence
- ORD record
- ord-bd1370729ed94cbd985552a7bcdb88d4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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