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Acetic Acid → 6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4(3H)-one

HRID 669784
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HRID 669784 반응식
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:20][S:21](=[O:22])(=[O:23])[CH2:24][CH2:25][NH2:26].[CH3:27][C:28](=[O:29])[OH:30].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[ClH:19].[Na+:53].[Na+:55].[O:1]=[c:2]1[nH:3][cH:4][n:5][c:6]2[cH:7][cH:8][c:9](-[c:12]3[cH:13][cH:14][c:15]([CH:17]=[O:18])[o:16]3)[cH:10][c:11]12.[OH-:54].[OH2:61]>>[O:1]=[c:2]1[nH:3][cH:4][n:5][c:6]2[cH:7][cH:8][c:9](-[c:12]3[cH:13][cH:14][c:15]([CH2:17][NH:26][CH2:25][CH2:24][S:21]([CH3:20])(=[O:22])=[O:23])[o:16]3)[cH:10][c:11]12
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium Ion2회HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 2724942Triacetoxyborohydride
HCID 43405612-(Methylsulfonyl)ethanamine
HCID 1361626165-(4-Hydroxy-6-quinazolinyl)furan-2-carbaldehyde

생성물 1

HCID 1361626186-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4(3H)-one

출처 및 근거

ORD 기록
ord-09c1b6ab33d34b5e9a1366f7fa5a670d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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