2-((Methoxycarbonyl)amino)-3-methylbutanoic acid → HCID 66620520, compound

HRID 1215680Notes

Reaction equation

HRID 1215680 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]([CH:52]([NH:53][C:54](=[O:55])[O:56][CH3:57])[CH:58]7[CH2:59][CH2:60]7)=[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]([NH:66][CH:67]([CH:68]([CH3:69])[CH3:70])[C:71]([OH:72])=[O:73])=[O:74]>>[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]([CH:52]([NH:53][C:54](=[O:55])[O:56][CH3:57])[CH:58]([CH3:59])[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]

Participants

3

Reactant 2

HCID 138211012-((Methoxycarbonyl)amino)-3-methylbutanoic acidHCID 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 ester

Product 1

HCID 66620520HCID 66620520, compound

Sources & evidence

ORD record
ord-49fb94b9a3ab418786dfc720fc141a3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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