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Sodium Ion → 2-[6-[2-(4-fluorophenyl)ethenyl]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

HRID 1557930
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HRID 1557930 반응식
[C:25](=[O:26])([O-:27])[O-:28].[CH3:44][O:45][CH3:46].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11]([CH3:22])[n:12][c:13](-[c:15]3[n:16][c:17]([I:21])[cH:18][n:19][cH:20]3)[s:14]2)[cH:23][cH:24]1.[F:31][c:32]1[cH:33][cH:34][c:35]([CH:38]=[CH:39][B:40]([OH:41])[OH:42])[cH:36][cH:37]1.[Na+:29].[Na+:30].[OH2:43]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11]([CH3:22])[n:12][c:13](-[c:15]3[n:16][c:17]([CH:39]=[CH:38][c:35]4[cH:34][cH:33][c:32]([F:31])[cH:37][cH:36]4)[cH:18][n:19][cH:20]3)[s:14]2)[cH:23][cH:24]1
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참가 물질

7

반응물 6

HCID 923Sodium Ion2회HCID 962WaterHCID 8254Dimethyl EtherHCID 19660Carbonate IonHCID 2763300(E)-4-fluorostyrylboronic acidHCID 866455582-(6-Iodo-pyrazin-2-yl)-4-methyl-thiazole-5-carboxylic acid 4-fluoro benzylamide

생성물 1

HCID 68490042
2-[6-[2-(4-fluorophenyl)ethenyl]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

출처 및 근거

ORD 기록
ord-51913a39b83a48dbae666f7533cb8a9a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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