Hydrochloric Acid → 5,5-Dimethyl-3-prop-2-ynyl-3-trifluoromethyl-1,3,4,5-tetrahydrobenzo[c]oxepin-1-ol

반응식

[CH2:27]1[O:28][CH2:29][CH2:30][CH2:31]1.[CH3:1][C:2]1([CH3:25])[c:3]2[c:4]([cH:21][cH:22][cH:23][cH:24]2)[CH:5]([O:16][CH2:17][CH2:18][CH2:19][OH:20])[O:6][C:7]([C:9]([F:10])([F:11])[F:12])([CH2:13][C:14]#[CH:15])[CH2:8]1.[ClH:26]>>[CH3:1][C:2]1([CH3:25])[c:3]2[c:4]([cH:21][cH:22][cH:23][cH:24]2)[CH:5]([OH:16])[O:6][C:7]([C:9]([F:10])([F:11])[F:12])([CH2:13][C:14]#[CH:15])[CH2:8]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 8028Tetrahydrofuran

HCID 580261503-(5,5-Dimethyl-3-prop-2-ynyl-3-trifluoromethyl-1,3,4,5-tetrahydrobenzo[c]oxepin-1-yloxy)propan-1-ol

생성물 1

HCID 580261785,5-Dimethyl-3-prop-2-ynyl-3-trifluoromethyl-1,3,4,5-tetrahydrobenzo[c]oxepin-1-ol

출처 및 근거

ORD 기록: ord-ce36f8645fc84bbf828d851092696167
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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