3-Methoxy-2-methoxycarbonylamino-3-methyl-butyric acid → [2-Methoxy-1-(3-{5-[6-(4-{2-[5-(2-methoxycarbonylamino-3-methyl-butyryl)-5-aza-spiro[2.4]hept-6-yl]-3H-imidazol-4-yl]-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl]-2-aza-bicyclo[2.2.1]heptane-2-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester
Reaction equation
[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH2:12][C:13]2([CH2:14][CH2:15]2)[CH2:16][CH:17]1[c:18]1[nH:19][c:20](-[c:23]2[cH:24][cH:25][c:26](-[c:29]3[cH:30][c:31]4[cH:32][cH:33][c:34](-[c:39]5[nH:40][c:41]([CH:44]6[N:45]([C:51](=[O:52])[CH:53]([CH:54]7[CH2:55][CH2:56]7)[NH:57][C:58]([O:59][CH3:60])=[O:61])[CH:46]7[CH2:47][CH2:48][CH:49]6[CH2:50]7)[n:42][cH:43]5)[cH:35][c:36]4[cH:37][cH:38]3)[cH:27][cH:28]2)[cH:21][n:22]1)=[O:62].[CH3:63][O:64][C:65]([CH:66]([C:67](=[O:68])[OH:69])[NH:70][C:71](=[O:72])[O:73][CH3:74])([CH3:75])[CH3:76]>>[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH2:12][C:13]2([CH2:14][CH2:15]2)[CH2:16][CH:17]1[c:18]1[nH:19][c:20](-[c:23]2[cH:24][cH:25][c:26](-[c:29]3[cH:30][c:31]4[cH:32][cH:33][c:34](-[c:39]5[nH:40][c:41]([CH:44]6[N:45]([C:67]([CH:66]([C:65]([O:64][CH3:63])([CH3:75])[CH3:76])[NH:70][C:71](=[O:72])[O:73][CH3:74])=[O:69])[CH:46]7[CH2:47][CH2:48][CH:49]6[CH2:50]7)[n:42][cH:43]5)[cH:35][c:36]4[cH:37][cH:38]3)[cH:27][cH:28]2)[cH:21][n:22]1)=[O:62]Participants
3
Reactant 2
HCID 201318933-Methoxy-2-methoxycarbonylamino-3-methyl-butyric acid
HCID 66620456[1-(6-{5-[4-(6-{2-[2-(2-Cyclopropyl-2-methoxycarbonylamino-acetyl)-2-aza-bicyclo[2.2.1]hept-3-yl]-3H-imidazol-4-yl}-naphthalen-2-yl)-phenyl]-1H-imidazol-2-yl}-5-aza-spiro[2.4]heptane-5-carbonyl)-2-methyl-propyl]-carbamic acid methyl esterProduct 1
Sources & evidence
- ORD record
- ord-ff31e0304c7141b4bbcd183e5b082251
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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