Acetic Acid → 1-(Trifluoromethyl)-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole

HRID 672389

반응식

HRID 672389 반응식
[CH2:14]([O:15][CH:17]([OH:16])[C:18]([F:19])([F:20])[F:21])[CH3:22].[CH3:23][C:24](=[O:25])[OH:26].[nH:1]1[cH:2][c:3]([CH2:10][CH2:11][CH2:12][NH2:13])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[c:2]2[c:3]([c:4]3[cH:5][cH:6][cH:7][cH:8][c:9]13)[CH2:10][CH2:11][CH2:12][NH:13][CH:17]2[C:18]([F:19])([F:20])[F:21]

참가 물질

4

반응물 3

HCID 176Acetic AcidHCID 9897Ethanol, 1-ethoxy-2,2,2-trifluoro-HCID 289891H-indole-3-propylamine

생성물 1

HCID 231136711-(Trifluoromethyl)-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole

출처 및 근거

ORD 기록
ord-f3c3ad1c9b464c11a791eaa49150b391
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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