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Carbonate Ion → 5-Bromo-3-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-1-methylpyridin-2(1H)-one

HRID 679755
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HRID 679755 반응식
[Br:11][c:12]1[c:13](=[O:20])[n:14]([CH3:19])[cH:15][c:16]([Br:18])[cH:17]1.[C:21](=[O:22])([O-:23])[O-:24].[CH2:83]1[O:84][CH2:85][CH2:86][O:87][CH2:88]1.[CH:29](=[CH:30][C:31]([CH:32]=[CH:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)=[O:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:47](=[CH:48][C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)=[O:58])[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH:65](=[CH:66][C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)=[O:76])[c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[Cs+:25].[Cs+:26].[Pd:27].[Pd:28].[n:1]1[c:2]([NH2:10])[cH:3][c:4]2[n:9]1[CH2:8][CH2:7][O:6][CH2:5]2>>[n:1]1[c:2]([NH:10][c:12]2[c:13](=[O:20])[n:14]([CH3:19])[cH:15][c:16]([Br:18])[cH:17]2)[cH:3][c:4]2[n:9]1[CH2:8][CH2:7][O:6][CH2:5]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 19660Carbonate IonHCID 23938Palladium2회HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3회HCID 104967Cesium cation2회HCID 36143503,5-Dibromo-1-methylpyridin-2(1H)-oneHCID 580437996,7-dihydro-4H-pyrazolo(5,1-c)(1,4)oxazin-2-amine

생성물 1

HCID 670161895-Bromo-3-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-1-methylpyridin-2(1H)-one

출처 및 근거

ORD 기록
ord-661cab6caaff4ab780f012a809fc2312
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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