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Hydroxide → 3-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]-5-methylbenzoic acid

HRID 205093
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인쇄 미리보기

반응식

HRID 205093 반응식
[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:34][CH3:35])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][c:31]([CH3:33])[cH:32]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[Li+:37].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:38].[OH2:36]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:34][CH3:35])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:30][c:31]([CH3:33])[cH:32]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1
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반응물 5

HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium CationHCID 57813541Methyl 3-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]-5-methylbenzoate

생성물 1

HCID 57813350
3-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]-5-methylbenzoic acid

출처 및 근거

ORD 기록
ord-c24701c453ed4d8182ca840eab9eb046
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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