tert-Butyl bromoacetate → {3-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-azetidin-1-yl}-acetic acid tert-butyl ester

반응식

[Br:31][CH2:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][N:25]([CH2:27][C:28]([NH2:29])=[O:30])[CH2:26]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][N:25]([CH2:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:26]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2

참가 물질

반응물 2

HCID 79177tert-Butyl bromoacetate

HCID 582042442-{3-[2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-azetidin-1-yl}-acetamide

생성물 1

HCID 58203769{3-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-azetidin-1-yl}-acetic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-711709e4c3614d46b0cefba4de0abe53
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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