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1,2-Dichloroethane → 3-{4-[4-(4-Methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-ylmethyl}-benzonitrile

HRID 803275
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HRID 803275 반응식
[C:34](#[N:35])[c:36]1[cH:37][c:38]([CH:39]=[O:40])[cH:41][cH:42][cH:43]1.[C:51]([O:52][BH-:53]([O:54][C:55](=[O:56])[CH3:57])[O:58][C:59](=[O:60])[CH3:61])(=[O:62])[CH3:63].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([O:16][c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[n:23]([CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1.[Cl:65][CH2:66][CH2:67][Cl:68].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:64].[OH2:69]>>[CH3:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([O:16][c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[n:23]([CH:26]2[CH2:27][CH2:28][N:29]([CH2:39][c:38]4[cH:37][c:36]([C:34]#[N:35])[cH:43][cH:42][cH:41]4)[CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 111,2-DichloroethaneHCID 923Sodium IonHCID 962WaterHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 90670m-FormylbenzonitrileHCID 2724942Triacetoxyborohydride
HCID 57964961
4-(4-Methylsulfonylphenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

생성물 1

HCID 579648983-{4-[4-(4-Methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-ylmethyl}-benzonitrile

출처 및 근거

ORD 기록
ord-b763e26dd95e445bb4a006887605e188
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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