Ethanol → HCID 25096664, 화합물

HRID 1145204노트

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HRID 1145204 반응식
[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][NH:9][c:10]1[c:11]2[c:12]([n:13][cH:14][n:15]1)[o:16][c:17]([Br:27])[c:18]2-[c:19]1[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1)=[O:28].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][OH:55].[F:29][c:30]1[c:31]([B:37]([OH:38])[OH:39])[c:32]([F:36])[cH:33][cH:34][cH:35]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][NH:9][c:10]1[c:11]2[c:12]([n:13][cH:14][n:15]1)[o:16][c:17](-[c:31]1[c:30]([F:29])[cH:35][cH:34][cH:33][c:32]1[F:36])[c:18]2-[c:19]1[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1)=[O:28]

참가 물질

7

출처 및 근거

ORD 기록
ord-3513e7e7f1c84b619e6a34c0ff9492f8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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