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Sodium Ion → 5-[4-(2-Methylsulfanyl-pyrimidin-4-yl)-1-(tetrahydro-pyran-2-yl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine

HRID 161697
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반응식

HRID 161697 반응식
[CH3:21][C:22]1([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27][B:28]([c:29]2[cH:30][c:31]3[c:32]([n:33][cH:34]2)[nH:35][cH:36][cH:37]3)[O:38]1.[I:1][c:2]1[n:3][n:4]([CH:15]2[O:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:5][c:6]1-[c:7]1[n:8][c:9]([S:13][CH3:14])[n:10][cH:11][cH:12]1.[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[c:2]1(-[c:29]2[cH:30][c:31]3[c:32]([n:33][cH:34]2)[nH:35][cH:36][cH:37]3)[n:3][n:4]([CH:15]2[O:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:5][c:6]1-[c:7]1[n:8][c:9]([S:13][CH3:14])[n:10][cH:11][cH:12]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium Ion2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 242087895-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo(2,3-b)pyridineHCID 594244104-(3-Iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)-2-(methylthio)pyrimidine

생성물 1

HCID 57856253
5-[4-(2-Methylsulfanyl-pyrimidin-4-yl)-1-(tetrahydro-pyran-2-yl)-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine

출처 및 근거

ORD 기록
ord-8d4d1f25ce1240ba93991ac1694ebb5f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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