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Ammonia → 3-Dipropylamino-8-fluoro-5-(2-furyl)chroman

HRID 311641
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HRID 311641 반응식
[CH2:1]([CH2:2][CH3:3])[N:4]([CH:5]1[CH2:6][O:7][c:8]2[c:9]([F:22])[cH:10][cH:11][c:12]([S:15]([C:16]([F:17])([F:18])[F:19])(=[O:20])=[O:21])[c:13]2[CH2:14]1)[CH2:23][CH2:24][CH3:25].[CH3:120][CH2:121][OH:122].[CH3:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[Cl-:35].[Li+:34].[NH3:42].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1.[o:26]1[c:27]([B:31]([OH:32])[OH:33])[cH:28][cH:29][cH:30]1>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH:5]1[CH2:6][O:7][c:8]2[c:9]([F:22])[cH:10][cH:11][c:12](-[c:27]3[o:26][cH:30][cH:29][cH:28]3)[c:13]2[CH2:14]1)[CH2:23][CH2:24][CH3:25]
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 222AmmoniaHCID 312ChlorideHCID 702EthanolHCID 923Sodium Ion2회HCID 1140TolueneHCID 19660Carbonate IonHCID 28486Lithium ionHCID 2734357Furan-2-boronic acid
HCID 19028187
3-Dipropylamino-8-fluoro-5-trifluoromethanesulfonylchroman
HCID 178420554HCID 178420554, 화합물

생성물 1

HCID 190281363-Dipropylamino-8-fluoro-5-(2-furyl)chroman

출처 및 근거

ORD 기록
ord-5467cfc0584b484682fc27d1543aef48
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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