Acetic Acid → 2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a,9-triaza-benzo[e]azulen-8-ol

반응식

[BrH:25].[CH3:26][C:27](=[O:28])[OH:29].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[cH:10][n:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([O:23][CH3:24])[n: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[cH:10][n:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([OH:23])[n:20][cH:19]1)[O:14][CH2:13][CH2:12]2

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 260Hydrogen Bromide

HCID 5820487112-Methoxy-4-(2-propan-2-yl-1,2,4-triazol-3-yl)-9-oxa-3,6,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene

생성물 1

HCID 1360309132-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a,9-triaza-benzo[e]azulen-8-ol

출처 및 근거

ORD 기록: ord-93f4d5d446204bde8b2e0d307c4b2ae1
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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