Formic Acid → 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpiperidin-4-yl)thiophen-3-yl]methanone

반응식

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

참가 물질

반응물 3

HCID 284Formic Acid

HCID 712Formaldehyde

HCID 426452903,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone

생성물 1

HCID 426452893,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpiperidin-4-yl)thiophen-3-yl]methanone

출처 및 근거

ORD 기록: ord-f362d629373c4153988837ee28e833a2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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