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Ethanol → HCID 57849603, 화합물

HRID 2311597
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HRID 2311597 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH:9]([CH3:14])[O:10][CH:11]([CH3:13])[CH2:12]2)[cH:15][cH:16]1.[CH3:120][CH2:121][OH:122].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[F:17][C:18]([c:19]1[c:20]([B:25]([OH:26])[OH:27])[cH:21][cH:22][cH:23][cH:24]1)([F:28])[F:29].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[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>>[c:2]1(-[c:20]2[c:19]([C:18]([F:17])([F:28])[F:29])[cH:24][cH:23][cH:22][cH:21]2)[cH:3][cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH:9]([CH3:14])[O:10][CH:11]([CH3:13])[CH2:12]2)[cH:15][cH:16]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 702EthanolHCID 923Sodium Ion2회HCID 1140TolueneHCID 19660Carbonate IonHCID 27343872-(Trifluoromethyl)benzeneboronic acidHCID 5332987HCID 5332987, 화합물HCID 178420554HCID 178420554, 화합물

생성물

1
HCID 57849603HCID 57849603, 화합물

출처 및 근거

ORD 기록
ord-8a773c1172a44daa940867ece0c460ac
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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