Bicarbonate Ion → (+/-)-6-[1-Hydroxy-1-(benzothiazol-2-yl)methyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

HRID 1146911노트

반응식

HRID 1146911 반응식
[C:36](=[O:37])([O-:38])[OH:39].[CH3:18][n:19]1[c:20](=[O:35])[n:21]([CH2:31][CH:32]([CH3:33])[CH3:34])[c:22]2[c:23]([c:24]1=[O:25])[cH:26][c:27]([CH:29]=[O:30])[s:28]2.[CH:1]([N-:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Li+:8].[Na+:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[cH:9]1[cH:10][cH:11][c:12]2[s:13][cH:14][n:15][c:16]2[cH:17]1>>[cH:9]1[cH:10][cH:11][c:12]2[s:13][c:14]([CH:29]([c:27]3[cH:26][c:23]4[c:22]([n:21]([CH2:31][CH:32]([CH3:33])[CH3:34])[c:20](=[O:35])[n:19]([CH3:18])[c:24]4=[O:25])[s:28]3)[OH:30])[n:15][c:16]2[cH:17]1

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 7222BenzothiazoleHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 5062348DiisopropylamideHCID 183665971,2,3,4-Tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxaldehyde

생성물 1

HCID 18366604(+/-)-6-[1-Hydroxy-1-(benzothiazol-2-yl)methyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

출처 및 근거

ORD 기록
ord-d956120dd3644dddb4ef34d11b8e8f06
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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