Ethanol → LY 81067

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 79341Piperidin-4-ol

HCID 30472011,2,4-Triazine, 5,6-bis(4-methylphenyl)-3-(methylthio)-

생성물 1

HCID 135892LY 81067

출처 및 근거

ORD 기록: ord-4673bf054fc34238b402af8ef2fd7865
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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