Hydrochloric Acid → 2-methyl-5,6-dihydro-4H-benzo[b]oxazolo[5,4-d]azepine

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 312751,4-Dioxane

HCID 231123696-benzoyl-2-methyl-5,6-dihydro-4H-1-oxa-3,6-diaza-benzo[e]azulene

생성물 1

HCID 231123652-methyl-5,6-dihydro-4H-benzo[b]oxazolo[5,4-d]azepine

출처 및 근거

ORD 기록: ord-3500a6b7f0884441b8c8bc774cfd21d8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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