Hydrochloric Acid → Hydrochloric Acid

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][c:11]2[nH:12][c:13]3[cH:14][cH:15][cH:16][c:17](-[c:22]4[c:23]([F:28])[cH:24][cH:25][cH:26][cH:27]4)[c:18]3[c:19]2[CH2:20][CH2:21]1.[CH3:30][CH2:31][OH:32].[ClH:29]>>[ClH:29].[NH:8]1[CH2:9][CH2:10][c:11]2[nH:12][c:13]3[cH:14][cH:15][cH:16][c:17](-[c:22]4[c:23]([F:28])[cH:24][cH:25][cH:26][cH:27]4)[c:18]3[c:19]2[CH2:20][CH2:21]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 702Ethanol

HCID 223967213-Benzyl-10-(2-fluorophenyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole

생성물 2

HCID 313Hydrochloric Acid

HCID 2239670010-(2-Fluorophenyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole

출처 및 근거

ORD 기록: ord-88a969363a95484190ec151a763c691d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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