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Ethanol → HCID 178502242, 화합물

HRID 1563204
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HRID 1563204 반응식
[C:58](=[O:59])([O-:60])[O-:61].[CH3:1][O:2][C:3]([NH:4][CH:5]([C:6]([CH3:7])([CH3:8])[CH3:9])[C:10](=[O:11])[NH:12][N:13]([CH2:14][C:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([C:23]([NH:24][CH:25]1[CH:26]([OH:34])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]21)=[O:35])[OH:36])[CH2:37][c:38]1[cH:39][cH:40][c:41]([Br:44])[cH:42][cH:43]1)=[O:45].[CH3:64][CH2:65][OH:66].[CH3:67][O:68][CH2:69][CH2:70][O:71][CH3:72].[Na+:62].[Na+:63].[s:46]1[c:47]2[c:48]([cH:49][c:50]1[B:51]([OH:52])[OH:53])[cH:54][cH:55][cH:56][cH:57]2>>[CH3:1][O:2][C:3]([NH:4][CH:5]([C:6]([CH3:7])([CH3:8])[CH3:9])[C:10](=[O:11])[NH:12][N:13]([CH2:14][C:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([C:23]([NH:24][CH:25]1[CH:26]([OH:34])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]21)=[O:35])[OH:36])[CH2:37][c:38]1[cH:39][cH:40][c:41](-[c:50]2[s:46][c:47]3[c:48]([cH:49]2)[cH:54][cH:55][cH:56][cH:57]3)[cH:42][cH:43]1)=[O:45]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 702EthanolHCID 923Sodium Ion2회HCID 2359Benzo(B)Thiophene-2-Boronic AcidHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 178502241HCID 178502241, 화합물

생성물 1

HCID 178502242
HCID 178502242, 화합물

출처 및 근거

ORD 기록
ord-7adbd5fffdc048018f2b06c86e3d327d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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