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Acetic Acid → 3-[2-{2-(2-Oxopropyl)-1-cyclohexenyl}-3-oxo-2,3-dihydropyridazin-6-yl]-2-phenylpyrazolo[1,5-a]pyridine

HRID 1218726
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HRID 1218726 반응식
[C:1](=[O:2])([OH:3])[CH2:4][C:5]1=[C:6]([n:11]2[n:12][c:13](-[c:18]3[c:19](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[n:20][n:21]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[cH:14][cH:15][c:16]2=[O:17])[CH2:7][CH2:8][CH2:9][CH2:10]1.[CH2:43]1[CH2:44][CH2:45][CH:46]([N:47]=[C:48]=[N:49][CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[CH2:56][CH2:57]1.[CH3:33][C:34]1([CH3:35])[O:36][C:37](=[O:38])[CH2:39][C:40](=[O:41])[O:42]1.[CH3:61][N:62]([CH3:63])[c:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1.[CH3:70][C:71](=[O:72])[OH:73].[Cl:58][CH2:59][Cl:60].[OH2:74]>>[C:1](=[O:2])([CH2:4][C:5]1=[C:6]([n:11]2[n:12][c:13](-[c:18]3[c:19](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[n:20][n:21]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[cH:14][cH:15][c:16]2=[O:17])[CH2:7][CH2:8][CH2:9][CH2:10]1)[CH3:33]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 962WaterHCID 6344DichloromethaneHCID 10868DicyclohexylcarbodiimideHCID 142844-(Dimethylamino)pyridineHCID 162492,2-Dimethyl-1,3-dioxane-4,6-dioneHCID 9910335FR-166124

생성물 1

HCID 22629231
3-[2-{2-(2-Oxopropyl)-1-cyclohexenyl}-3-oxo-2,3-dihydropyridazin-6-yl]-2-phenylpyrazolo[1,5-a]pyridine

출처 및 근거

ORD 기록
ord-c204e5b8c3834fcaa77401438c8237f2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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