Ethyl 2-(5-bromopyridin-3-yl)acetate → (5-{2-[(N-benzyl-N-cyclopropanecarbonyl-amino)-methyl]-4-tert-butylcarbamoyl-phenyl}-pyridin-3-yl)-acetic acid ethyl ester

HRID 299157Notes

Reaction equation

HRID 299157 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9](=[O:10])[CH:11]1[CH2:12][CH2:13]1)[CH2:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[NH:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26][c:27]1[B:28]1[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]1.[CH2:37]([CH3:38])[O:39][C:40]([CH2:41][c:42]1[cH:43][n:44][cH:45][c:46]([Br:48])[cH:47]1)=[O:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9](=[O:10])[CH:11]1[CH2:12][CH2:13]1)[CH2:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[NH:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26][c:27]1-[c:46]1[cH:45][n:44][cH:43][c:42]([CH2:41][C:40]([O:39][CH2:37][CH3:38])=[O:49])[cH:47]1

Participants

3

Reactant 2

HCID 54116619Ethyl 2-(5-bromopyridin-3-yl)acetateHCID 672126853-[(N-benzyl-N-cyclopropanecarbonyl-amino)-methyl]-N-tert-butyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide

Product 1

HCID 67212635(5-{2-[(N-benzyl-N-cyclopropanecarbonyl-amino)-methyl]-4-tert-butylcarbamoyl-phenyl}-pyridin-3-yl)-acetic acid ethyl ester

Sources & evidence

ORD record
ord-9982cc2639f9431aa1fa57aaa1a25b7b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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