Hydrochloric Acid → 2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-8-piperidin-4-yl-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 582039364-[2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-piperidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 582037792-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-8-piperidin-4-yl-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

출처 및 근거

ORD 기록: ord-32a1224638ca4eeda6976036a46662f4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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