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Sodium Ion → 2-[(4-{2-[(4'-Fluorobiphenyl-4-yl)methoxy]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid ethyl ester

HRID 675357
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HRID 675357 반응식
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[S:8][c:9]1[s:10][cH:11][c:12]([CH2:14][CH2:15][O:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([Br:24])[cH:22][cH:23]2)[n:13]1)=[O:25].[F:26][c:27]1[cH:28][cH:29][c:30]([O:33][B:34]([OH:35])[OH:36])[cH:31][cH:32]1.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH2:43].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[S:8][c:9]1[s:10][cH:11][c:12]([CH2:14][CH2:15][O:16][CH2:17][c:18]2[cH:19][cH:20][c:21](-[c:30]3[cH:29][cH:28][c:27]([F:26])[cH:32][cH:31]3)[cH:22][cH:23]2)[n:13]1)=[O:25]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium Ion2회HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 219397714-Fluoro-phenylboric acidHCID 597590082-[(4-{2-[(4-Bromobenzyl)oxy]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid ethyl ester
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 597593242-[(4-{2-[(4'-Fluorobiphenyl-4-yl)methoxy]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid ethyl ester

출처 및 근거

ORD 기록
ord-337c1ce94bb64646b5380ae292793ed7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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