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Ethanol → N-[5-(2-fluoro-3-pyridinyl)-3-(2-methoxyethyl)-1,3-thiazol-2-ylidene]adamantane-1-carboxamide

HRID 306041
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HRID 306041 반응식
[Br:1][c:2]1[cH:3][n:4]([CH2:20][CH2:21][O:22][CH3:23])[c:5](=[N:7][C:8](=[O:9])[C:10]23[CH2:11][CH:12]4[CH2:13][CH:14]([CH2:15][CH:16]([CH2:17]2)[CH2:18]4)[CH2:19]3)[s:6]1.[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[CH3:47][CH2:48][OH:49].[F:24][c:25]1[n:26][cH:27][cH:28][cH:29][c:30]1[B:31]([OH:32])[OH:33].[Na+:38].[Na+:39].[OH2:46]>>[c:2]1(-[c:30]2[c:25]([F:24])[n:26][cH:27][cH:28][cH:29]2)[cH:3][n:4]([CH2:20][CH2:21][O:22][CH3:23])[c:5](=[N:7][C:8](=[O:9])[C:10]23[CH2:11][CH:12]4[CH2:13][CH:14]([CH2:15][CH:16]([CH2:17]2)[CH2:18]4)[CH2:19]3)[s:6]1
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참가 물질

8

반응물 7

HCID 702EthanolHCID 923Sodium Ion2회HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27832702-Fluoropyridine-3-boronic acidHCID 24890600n-[(2z)-5-Bromo-3-(2-methoxyethyl)-1,3-thiazol-2(3h)-ylidene]adamantane-1-carboxamide

생성물 1

HCID 24890078N-[5-(2-fluoro-3-pyridinyl)-3-(2-methoxyethyl)-1,3-thiazol-2-ylidene]adamantane-1-carboxamide

출처 및 근거

ORD 기록
ord-fdec3a16159848b1899e71dcf49fe4fd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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