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Citric Acid → 2-[1-(2-bromo-6-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methylpyrazin-2-yl)-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide

HRID 1118772
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HRID 1118772 반응식
[Br:31][c:32]1[c:33](-[n:39]2[n:40][cH:41][c:42]3[c:43]2[n:44][cH:45][n:46][c:47]3[Cl:48])[c:34]([Cl:38])[cH:35][cH:36][cH:37]1.[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[H-:1].[Na+:2].[OH:3][CH:4]([C:5](=[O:6])[NH:7][c:8]1[n:9][cH:10][c:11]([CH3:14])[n:12][cH:13]1)[CH2:15][O:16][CH:17]([CH2:18][O:19][Si:20]([CH:21]([CH3:22])[CH3:23])([CH:24]([CH3:25])[CH3:26])[CH:27]([CH3:28])[CH3:29])[CH3:30].[OH:49][C:50]([CH2:51][C:52]([C:53](=[O:54])[OH:55])([CH2:56][C:57](=[O:58])[OH:59])[OH:60])=[O:61]>>[O:3]([CH:4]([C:5](=[O:6])[NH:7][c:8]1[n:9][cH:10][c:11]([CH3:14])[n:12][cH:13]1)[CH2:15][O:16][CH:17]([CH2:18][O:19][Si:20]([CH:21]([CH3:22])[CH3:23])([CH:24]([CH3:25])[CH3:26])[CH:27]([CH3:28])[CH3:29])[CH3:30])[c:47]1[c:42]2[cH:41][n:40][n:39](-[c:33]3[c:32]([Br:31])[cH:37][cH:36][cH:35][c:34]3[Cl:38])[c:43]2[n:44][cH:45][n:46]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 311Citric AcidHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 166653HydrideHCID 574386801-(2-bromo-6-chlorophenyl)-4-chloro-1H-pyrazolo[3,4-d]pyrimidineHCID 668132862-hydroxy-N-(5-methylpyrazin-2-yl)-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide

생성물 1

HCID 765505422-[1-(2-bromo-6-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methylpyrazin-2-yl)-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide

출처 및 근거

ORD 기록
ord-8f7de1a47a9c40b4b4bb0a2258ca3e71
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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