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Ethanol → 2-(7-Hydroxy-thianthren-1-yl)-6-morpholin-4-yl-pyran-4-one

HRID 98956
노트
인쇄 미리보기

반응식

HRID 98956 반응식
[CH3:42][CH2:43][O:44][CH2:45][CH3:46].[CH3:47][CH2:48][OH:49].[F:30][B-:31]([F:32])([F:33])[F:34].[H+:29].[N:35](=[O:36])[O:37][CH2:38][CH2:39][CH2:40][CH3:41].[NH2:1][c:2]1[cH:3][c:4]2[c:13]([cH:14][cH:15]1)[S:12][c:11]1[c:6]([cH:7][cH:8][cH:9][c:10]1-[c:16]1[o:17][c:18]([N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[cH:19][c:20](=[O:22])[cH:21]1)[S:5]2.[OH2:50]>>[c:2]1([OH:36])[cH:3][c:4]2[c:13]([cH:14][cH:15]1)[S:12][c:11]1[c:6]([cH:7][cH:8][cH:9][c:10]1-[c:16]1[o:17][c:18]([N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[cH:19][c:20](=[O:22])[cH:21]1)[S:5]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 702EthanolHCID 962WaterHCID 1038Hydrogen cationHCID 3283Diethyl EtherHCID 10996Butyl nitriteHCID 26255TetrafluoroborateHCID 597974272-(7-Amino-thianthren-1-yl)-6-morpholin-4-yl-pyran-4-one

생성물 1

HCID 59797429
2-(7-Hydroxy-thianthren-1-yl)-6-morpholin-4-yl-pyran-4-one

출처 및 근거

ORD 기록
ord-37ce71fa929f468e9d6e84b2452eeed5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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