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Acetic Acid → 6-chloro-4-(5-(1-ethylpiperidin-4-yl)pyridin-2-ylamino)-2-methylpyridazin-3(2H)-one

HRID 159870
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인쇄 미리보기

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HRID 159870 반응식
[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:26][C:27](=[O:28])[OH:29].[CH:23]([CH3:24])=[O:25].[Cl:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1.[Na+:43].[Na+:48].[O-:44][C:45]([OH:46])=[O:47].[OH2:49]>>[Cl:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][N:20]([CH2:23][CH3:24])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 962WaterHCID 8028TetrahydrofuranHCID 2724942Triacetoxyborohydride
HCID 66742140
6-chloro-2-methyl-4-(5-(piperidin-4-yl)pyridin-2-ylamino)pyridazin-3(2H)-one

생성물 1

HCID 667427666-chloro-4-(5-(1-ethylpiperidin-4-yl)pyridin-2-ylamino)-2-methylpyridazin-3(2H)-one

출처 및 근거

ORD 기록
ord-ba0e608838334274a9da17049034d516
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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