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Water → trans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propylpyrazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl 2-(acetyloxy)-2-methylpropanoate

HRID 86208
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인쇄 미리보기

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HRID 86208 반응식
[C:36]([CH3:37])(=[O:38])[O:39][C:40]([C:41](=[O:42])[Cl:43])([CH3:44])[CH3:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[OH2:52].[OH:1][CH:2]1[CH2:3][CH2:4][CH:5]([n:8]2[c:9]3[n:10]([c:11]([CH2:30][CH2:31][CH3:32])[c:12]([CH2:15][c:16]4[cH:17][cH:18][c:19](-[c:22]5[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]5)[cH:20][cH:21]4)[c:13]2=[O:14])[n:33][cH:34][cH:35]3)[CH2:6][CH2:7]1.[cH:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1>>[O:1]([CH:2]1[CH2:3][CH2:4][CH:5]([n:8]2[c:9]3[n:10]([c:11]([CH2:30][CH2:31][CH3:32])[c:12]([CH2:15][c:16]4[cH:17][cH:18][c:19](-[c:22]5[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]5)[cH:20][cH:21]4)[c:13]2=[O:14])[n:33][cH:34][cH:35]3)[CH2:6][CH2:7]1)[C:41]([C:40]([O:39][C:36]([CH3:37])=[O:38])([CH3:44])[CH3:45])=[O:42]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 962WaterHCID 1049PyridineHCID 8857Ethyl AcetateHCID 1234962-Acetoxyisobutyroyl chlorideHCID 670098734'-{[4-(trans-4-Hydroxycyclohexyl)-5-oxo-7-propyl-4,5-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

생성물 1

HCID 67010187
trans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propylpyrazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl 2-(acetyloxy)-2-methylpropanoate

출처 및 근거

ORD 기록
ord-4f9d170eec274efab243d8e58e74d7c4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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